1,3-diphenyl-2-propan-2-ylpropane-1,3-dione (CED0262915)

Record Information

Version

1.0

Creation Date

2026-08-29 08:17:13 UTC

Update Date

2026-08-29 08:17:13 UTC

SynCED ID

CED0262915

Secondary Accession Numbers

CHEM307864

Identification

Common Name

1,3-diphenyl-2-propan-2-ylpropane-1,3-dione

Class

Small Molecule

Description

1,3-diphenyl-2-propan-2-ylpropane-1,3-dione is a chemical compound with the formula C18H18O2. It has an average molecular weight of 266.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₁₈O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

266.131 g/mol

CAS Registry Number

59875-96-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI Identifier

InChI=1S/C18H18O2/c1-13(2)16(17(19)14-9-5-3-6-10-14)18(20)15-11-7-4-8-12-15/h3-13,16H,1-2H3

InChI Key

INOOPDWDPUATRT-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

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

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2551.0 Log mg/kg [1400:4500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	Not Available
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	Not Available
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	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	Not Available
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	Not Available
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	Not Available
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	Not Available
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	Not Available
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	Not Available
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	Not Available
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	Not Available
CEDs000619	Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.	Personal care & cosmetics	Not Available
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	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available

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	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.344 Statistical Significance 9.60e-04 Supporting Reference Compounds 1 E-value 7.47353
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.458 Statistical Significance 4.30e-04 Supporting Reference Compounds 40 E-value 3.34752
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.33 Applicability Domain 0.393 Statistical Significance 0.0167 Supporting Reference Compounds 332 E-value 129.775
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.33 Applicability Domain 0.393 Statistical Significance 0.0327 Supporting Reference Compounds 553 E-value 254.645
Click to view 3D structure	Liver carboxylesterase 1	P12337	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.458 Statistical Significance 6.00e-05 Supporting Reference Compounds 9 E-value 0.467095
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.393 Statistical Significance 0.0382 Supporting Reference Compounds 497 E-value 297.073
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.458 Statistical Significance 0.0017 Supporting Reference Compounds 55 E-value 13.5458
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase	Q7M0F8	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.359 Statistical Significance 4.10e-04 Supporting Reference Compounds 2 E-value 3.19182
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.4 Statistical Significance 0.0069 Supporting Reference Compounds 136 E-value 54.0274
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.4 Statistical Significance 0.0112 Supporting Reference Compounds 201 E-value 87.1911
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.458 Statistical Significance 3.80e-04 Supporting Reference Compounds 12 E-value 2.95827
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.4 Statistical Significance 0.0047 Supporting Reference Compounds 106 E-value 36.5113
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.355 Statistical Significance 0.0385 Supporting Reference Compounds 472 E-value 299.797
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.355 Statistical Significance 0.033 Supporting Reference Compounds 407 E-value 257.292
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.4 Statistical Significance 0.0022 Supporting Reference Compounds 50 E-value 17.2047
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.393 Statistical Significance 0.0359 Supporting Reference Compounds 317 E-value 279.245
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.324 Statistical Significance 0.0094 Supporting Reference Compounds 296 E-value 73.334
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.355 Statistical Significance 0.0328 Supporting Reference Compounds 372 E-value 255.501
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.375 Statistical Significance 0.0152 Supporting Reference Compounds 148 E-value 118.72
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.325 Statistical Significance 0.0186 Supporting Reference Compounds 203 E-value 145.033
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.375 Statistical Significance 0.0211 Supporting Reference Compounds 185 E-value 164.028
Click to view 3D structure	Chemokine receptor	Q9MYJ9	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.3 Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.3186
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.393 Statistical Significance 0.0406 Supporting Reference Compounds 307 E-value 315.912
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.4 Statistical Significance 0.1438 Supporting Reference Compounds 1301 E-value 1119.71
Click to view 3D structure	Solute carrier family 22 member 6	Q4U2R8	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.4 Statistical Significance 5.10e-04 Supporting Reference Compounds 26 E-value 3.97031