4,4'-Propane-1,1-diyldiphenol (CED0057097)

Record Information

Version

1.0

Creation Date

2026-03-26 22:17:55 UTC

Update Date

2026-05-20 18:53:24 UTC

Accession Number

CHEM056574

Identification

Common Name

4,4'-Propane-1,1-diyldiphenol

Class

Small Molecule

Description

4,4'-Propane-1,1-diyldiphenol is an organic compound with the chemical formula C15H16O2 and an average molecular weight of 228.29 g/mol. 4,4'-Propane-1,1-diyldiphenol belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. The compound is identified in seven recorded sources. These include electrical and electronic equipment, specifically antennas, coils, communication cables or conductors, selectors, and emergency protective devices, as well as one additional source. Additionally, it is found in air, dust, and atmospheric transport, specifically within indoor air. Regarding human or environmental contact, inhalation is the recorded exposure route.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₁₆O₂

Average Molecular Mass

228.291 g/mol

Monoisotopic Mass

228.115 g/mol

CAS Registry Number

1576-13-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C15H16O2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15-17H,2H2,1H3

InChI Key

YKPAABNCGAAJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Phenylpropane
1-hydroxy-2-unsubstituted benzenoid
Phenol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

diarylmethane (CHEBI:79723 )

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
5024.0	Log mg/kg	[2800:8900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
19	Indoor air	Air, dust & atmospheric transport	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
654	Sleeve Links	Textiles, leather & furnishings	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	TyR1	H9TVJ1	Chilo suppressalis	Predicted (SEA)	0.155698
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	16.0369
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	10.1204
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	110.857
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	69.0523
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	4.43741
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	103.929
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	89.1374
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	90.7722
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	86.1791
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	8.48557
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	2.56902
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	0.856341
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	150.483
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	314.978
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	179.91
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	38.6911
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	290.3
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	107.354
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	157.489
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	136.703
Click to view 3D structure	Tyrosinase	P14679	Humans	Predicted (SEA)	5.44945
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	122.457
Click to view 3D structure	Estrogen receptor	P49884	Bos taurus	Predicted (SEA)	0.311397
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	126.427