Dicyclohexyl phthalate (CED0011984)

Record Information

Version

1.0

Creation Date

2009-12-03 20:13:26 UTC

Update Date

2026-08-20 06:23:29 UTC

SynCED ID

CED0011984

Secondary Accession Numbers

CHEM002612
T3D3643

Identification

Common Name

Dicyclohexyl phthalate

Class

Small Molecule

Description

Dicyclohexyl phthalate (C20H26O4) is a solid at room temperature with an average molecular weight of 330.42 g/mol. Dicyclohexyl phthalate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous compound is used industrially as a plasticizer and as processing aids not otherwise specified. The substance is present in plastics such as polyvinyl chloride, polyethylene terephthalate, polyurethane, and ethylene-vinyl acetate, and it is released in polystyrene and polypropylene. It has been found in or released from 25 recorded sources, including drinking water, indoor air, and various household cleaning and consumer products such as soap detergents, bleaching agents, and perfumes within detergents and soaps. Other sources include tobacco smoke filters, food contact materials, fermentation processes for beer, processing meats, and building and construction materials such as stairs and ramps as well as sunshades awnings or outside screens. Additionally, it is associated with electrical and electronic equipment, including electric switches, electric hearing aids, discharge lamps, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials. Exposure routes include touch, oral, and inhalation. Dicyclohexyl phthalate has six recorded protein targets, including the estrogen receptor (ESR1), nuclear receptor subfamily 1 group I member 2 (NR1I2), retinoic acid receptor RXR-beta (RXRB), and the vitamin D3 receptor (VDR), along with two other proteins. Its presence in polyamide remains inconclusive, and it has not been detected in polycarbonate.

Contaminant Type

Aromatic Hydrocarbon
Cosmetic Toxin
Ester
Ether
Food Toxin
Household Toxin
Industrial/Workplace Toxin
Organic Compound
Phthalate
Plasticizer
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Dicyclohexyl phthalic acid	Generator

Chemical Formula

C₂₀H₂₆O₄

Average Molecular Mass

330.418 g/mol

Monoisotopic Mass

330.183 g/mol

CAS Registry Number

84-61-7

IUPAC Name

1,2-dicyclohexyl benzene-1,2-dicarboxylate

Traditional Name

dicyclohexyl phthalate

SMILES

O=C(OC1CCCCC1)C1=CC=CC=C1C(=O)OC1CCCCC1

InChI Identifier

InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2

InChI Key

VOWAEIGWURALJQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Benzoic acid esters

Alternative Parents

Substituents

Benzoate ester
Benzoyl
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

2-hydroxyisophthalic acid (CHEBI:34693 )
Phthalates (C14529 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

Colorless liquid.

Experimental Properties

Property	Value
Melting Point	66°C
Boiling Point	Not Available
Solubility	0.004 mg/mL at 24°C

Predicted Properties

Property	Value	Source
Water Solubility	0.0011 g/L	ALOGPS
logP	5.01	ALOGPS
logP	5.58	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Basic)	-6.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	92.14 m³·mol⁻¹	ChemAxon
Polarizability	36.74 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-001i-9130000000-bf0948298eaf003c4b85	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-6292662bbf9b60a81a1f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-2cfad1f4af158b70d42b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-b282160570c579fdfe29	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014j-0900000000-485433678a4139d43b45	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kb-0900000000-1571f7fd0d316e936cd1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kb-0961000000-c88d62b294acffd6dcb1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-2efae9c6305335252bfa	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-1a9c5667074c58fd3aea	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-dc2329b6e9627b0ab41e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-0e9e05d84dece9c4fcf4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0592-1900000000-5dde58db5f1d07da7958	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0009000000-d6f710e95c96144c9293	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004r-0908000000-2feeaa694888a4f85bc6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-059b-1900000000-1bcdee72e6811fa5577a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-2900000000-7fd656f0fb35208fe09e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-65d03365935b622d1c5a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-7d99b84ee48e55ce76c7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-5b09efcb9bfbcd703743	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-4049000000-19a242cdddec79ba89d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9252000000-827bb993f2bceb843e28	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0536-9200000000-85eeb6af0b4b3ace20c3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2019000000-b1267d2f456e3940f8d8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004j-6289000000-9268ea958926bcb137a8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9210000000-911ce1d58439498b5221	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1295000000-0cb0458e63126d3c03d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000t-1930000000-545068521fb53ba9c97e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9031000000-92177c5e45de61647278	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-99d606b10294240605d3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1039000000-4c140dd4eb976968d3c2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006t-2921000000-e0aecbc57278515b9171	Not Available	View Spectrum
MS	MS Spectrum	splash10-0002-4900000000-a0f78df766b297c29260	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3200.0 mg/kg >3200	Mouse	LD50	Oral	experimental	Not Available	1
1600.0 mg/kg	Mouse	LD50	Intraperitoneal	experimental	Not Available	1
10014.0 Log mg/kg [5600:18000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Phthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (2)

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Minimum Risk Level

Not Available

Symptoms

Phthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (2)

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
type 2 diabetes mellitus	Associated With?	Not Available	Not Available	PMC10194346
metabolic disease	Associated With?	Not Available	Not Available	PMC10194346 , PMC10194346
vascular alteration	Associated With?	decrease	Not Available	PMC12696147

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC10973024
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
CEDs000164	Toys?Toys can be a source of synthetic chemical contamination due to the materials and additives used in their production.	Household items	PMC10235726
CEDs000181	Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.	Marine, shipping & aquaculture	PubChem
CEDs000182	Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.	Marine, shipping & aquaculture	PubChem
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available
CEDs000500	Stairs And Ramps?Stairs and ramps in construction are often treated with various synthetic chemicals to enhance durability, slip resistance, and weather resistance.	Building & Construction	PubChem
CEDs000501	Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are often constructed using synthetic materials such as polyvinyl chloride (PVC), polyester, or acrylic fabrics.	Building & Construction	PubChem
CEDs000502	Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are commonly used in construction to enhance energy efficiency and provide shade.	Building & Construction	PubChem
CEDs000510	Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000520	Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.	Electrical & Electronic Equipment	PubChem
CEDs000523	Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000529	Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000635	Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.	Textiles, leather & furnishings	PubChem
CEDs000638	Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000652	Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.	Textiles, leather & furnishings	PubChem
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000691	Non Oxide Glass?Non-oxide glass refers to a category of glasses primarily composed of materials other than silicon dioxide, such as boron oxide or phosphorous oxide.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000705	Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.	Paper, pulp & fiber products	PubChem
CEDs000707	Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.	Paper, pulp & fiber products	PubChem
CEDs000716	Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.	Paper, pulp & fiber products	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000729	Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.	Paper, pulp & fiber products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01157	Foods	Food, food processing & cookware	PMC8997706
CEDs01800	Food Contact Materials	Packaging	PMC11599199
CEDs01830	Packaging Material	Packaging	PMC10995151
CEDs01850	Food Packages	Packaging	PMC10235726
CEDs01886	Plastic	Industrial manufacturing & chemical processing	PMC11768991
CEDs02255	Water	Aquatic systems & sediments	PMC8997706
CEDs02589	Air	Air, dust & atmospheric transport	PMC9876422
CEDs02684	Particulates	Air, dust & atmospheric transport	PMC9696275
CEDs02823	Floorings	Building & Construction	PMC10235726
CEDs02845	Cosmetics	Personal care & cosmetics	PMC10235726
CEDs02847	Personal Care Products	Personal care & cosmetics	PMC10235726
CEDs03169	Consumer Products	Household cleaning & consumer products	PMC8997706

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Known	Not Available
Click to view 3D structure	Estrogen receptor	P03372	Humans	Known	Not Available
Click to view 3D structure	Androgen receptor	P10275	Humans	Known	Not Available
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Known	Not Available
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.383 Statistical Significance 0.0038 Supporting Reference Compounds 77 E-value 29.5827
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.375 Statistical Significance 0.0024 Supporting Reference Compounds 98 E-value 18.9174
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.375 Statistical Significance 0.0011 Supporting Reference Compounds 52 E-value 8.95266
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.375 Statistical Significance 0.0037 Supporting Reference Compounds 109 E-value 28.8042
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.353 Statistical Significance 0.0011 Supporting Reference Compounds 55 E-value 8.64126
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.383 Statistical Significance 0.0124 Supporting Reference Compounds 266 E-value 96.6887
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.383 Statistical Significance 0.002 Supporting Reference Compounds 55 E-value 15.7255
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.341 Statistical Significance 0.0202 Supporting Reference Compounds 310 E-value 157.255
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P49582	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.383 Statistical Significance 1.50e-04 Supporting Reference Compounds 8 E-value 1.16774
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.375 Statistical Significance 8.30e-04 Supporting Reference Compounds 18 E-value 6.46149
Click to view 3D structure	Acetylcholine-binding protein	P58154	Lymnaea stagnalis	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.39 Statistical Significance 9.10e-04 Supporting Reference Compounds 20 E-value 7.08428
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.341 Statistical Significance 0.0347 Supporting Reference Compounds 385 E-value 269.981
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.341 Statistical Significance 0.0337 Supporting Reference Compounds 373 E-value 262.508
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.39 Statistical Significance 0.0244 Supporting Reference Compounds 203 E-value 190.186
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.341 Statistical Significance 0.0299 Supporting Reference Compounds 297 E-value 232.458
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.333 Statistical Significance 0.036 Supporting Reference Compounds 234 E-value 280.413
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.383 Statistical Significance 0.0741 Supporting Reference Compounds 593 E-value 576.629
Click to view 3D structure	Epoxide hydrolase 1	P07099	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.359 Statistical Significance 0.0051 Supporting Reference Compounds 18 E-value 39.781
Click to view 3D structure	Phosphodiesterase 4A	O77823	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.365 Statistical Significance 0.0022 Supporting Reference Compounds 9 E-value 17.2825
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.383 Statistical Significance 0.1226 Supporting Reference Compounds 953 E-value 954.276
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.383 Statistical Significance 0.038 Supporting Reference Compounds 228 E-value 295.827
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.341 Statistical Significance 0.0025 Supporting Reference Compounds 38 E-value 19.8516
Click to view 3D structure	5-hydroxytryptamine receptor 4	Q13639	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.383 Statistical Significance 0.0188 Supporting Reference Compounds 101 E-value 146.201
Click to view 3D structure	Epoxide hydrolase 1	Q9D379	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.359 Statistical Significance 0.0026 Supporting Reference Compounds 8 E-value 20.4743
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.359 Statistical Significance 0.0358 Supporting Reference Compounds 93 E-value 279.089
Click to view 3D structure	Estrogen receptor	P03372	Humans	Known	Not Available
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Known	Not Available
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Known	Not Available
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Known	Not Available
Click to view 3D structure	Translocator protein	P30536	Humans	Known	Not Available
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28702	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0251213

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

6519

ChEBI ID

Not Available

PubChem Compound ID

Not Available

Kegg Compound ID

C14529

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Quadros EV, Jacobsen DW: The dynamics of cobalamin utilization in L-1210 mouse leukemia cells: a model of cellular cobalamin metabolism. Biochim Biophys Acta. 1995 Jun 9;1244(2-3):395-403. [PubMed: 7599160]
Wilson VS, Blystone CR, Hotchkiss AK, Rider CV, Gray LE Jr: Diverse mechanisms of anti-androgen action: impact on male rat reproductive tract development. Int J Androl. 2008 Apr;31(2):178-87. doi: 10.1111/j.1365-2605.2007.00861.x. [PubMed: 18315717]
Wittassek M, Angerer J: Phthalates: metabolism and exposure. Int J Androl. 2008 Apr;31(2):131-8. Epub 2007 Dec 7. [PubMed: 18070048]
Wikipedia. Phthalate. Last Updated 22 November 2009. - http://en.wikipedia.org/wiki/Phthalate
European Chemicals Bureau (2000). IUCLID Dataset, Dicyclohexyl Phthalate (84-61-7).

Dicyclohexyl phthalate (CED0011984)

Structure for CHEM002612: Dicyclohexyl phthalate

No pathways found

Structure