1,1-Bis(4-hydroxyphenyl)-n-heptane (CED0114231)

Record Information

Version

1.0

Creation Date

2026-03-27 01:11:56 UTC

Update Date

2026-03-27 01:11:56 UTC

Accession Number

CHEM056911

Identification

Common Name

1,1-Bis(4-hydroxyphenyl)-n-heptane

Class

Small Molecule

Description

1,1-Bis(4-hydroxyphenyl)-n-heptane is an organic compound with the chemical formula C19H24O2. 1,1-Bis(4-hydroxyphenyl)-n-heptane belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized under the superclass of benzenoids. It has been identified in or released from two recorded sources, specifically electrical and electronic equipment such as antennas, cores, yokes, or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

284.178 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H24O2/c1-2-3-4-5-6-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h7-14,19-21H,2-6H2,1H3

InChI Key

CZCLTCVIZZPPBW-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2079.0	Log mg/kg	[1200:3700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
711	Coloured Pencils	Paper, pulp & fiber products	Not Available
712	Combination Pens	Paper, pulp & fiber products	Not Available
716	Erasers	Paper, pulp & fiber products	Not Available
717	Fountain Pens	Paper, pulp & fiber products	Not Available
720	Ink Reservoir Pens2	Paper, pulp & fiber products	Not Available
726	Pens	Paper, pulp & fiber products	Not Available
729	Stamps	Paper, pulp & fiber products	Not Available

Pathways

0 pathways

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	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	0.311397
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	14.8692
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	81.1967
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	44.6855
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	46.9431
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	62.9022
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	33.553
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	84.7778
Click to view 3D structure	Proteasome component C5	P23724	Saccharomyces cerevisiae S288c	Predicted (SEA)	18.9952
Click to view 3D structure	TyR1	H9TVJ1	Chilo suppressalis	Predicted (SEA)	0.389246
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	81.3524
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	54.1052
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	99.5692
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	36.8227
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	48.4222
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	3.89246
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	6.92858
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	3.19182
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	113.348
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	293.647
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	26.3909
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	21.175
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	65.2376
Click to view 3D structure	Tyrosinase	P14679	Humans	Predicted (SEA)	7.00643
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	56.3628