20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol (CED0076959)

Record Information

Version

1.0

Creation Date

2026-04-03 20:13:45 UTC

Update Date

2026-08-22 09:23:34 UTC

Accession Number

CHEM067841

Identification

Common Name

20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol

Class

Small Molecule

Description

20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 528.73 g/mol, 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol is a heavy molecule. This compound has the chemical formula C29H52O8. It has been recorded in indoor air as part of air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₅₂O₈

Average Molecular Mass

528.727 g/mol

Monoisotopic Mass

528.366 g/mol

CAS Registry Number

27942-27-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCO)C=C1

InChI Identifier

InChI=1S/C29H52O8/c1-2-3-4-5-6-7-8-9-28-10-12-29(13-11-28)37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30/h10-13,30H,2-9,14-27H2,1H3

InChI Key

ATBQNLZREVOGBO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Polyethylene glycols

Alternative Parents

Substituents

Polyethylene glycol
Phenoxy compound
Phenol ether
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Hydrocarbon derivative
Primary alcohol
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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
2565.0	Log mg/kg	[1400:4600]	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
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	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)	0.622794
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	2.17978
Click to view 3D structure	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	18.8395
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	71.8548
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	72.1662
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	34.9543
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	134.056
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	83.9993
Click to view 3D structure	Trehalose-phosphatase	A8NS89	Brugia malayi	Predicted (SEA)	0.778492
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	68.663
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	153.752
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	165.118
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	22.1092
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	15.7255
Click to view 3D structure	Uracil-DNA glycosylase	P13051	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	31.0618
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	11.2103
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	450.747
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	273.562
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	141.296
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	396.019
Click to view 3D structure	Cytosolic phospholipase A2 beta	P0C869	Humans	Predicted (SEA)	2.64687
Click to view 3D structure	Sphingosine 1-phosphate receptor 2	O95136	Humans	Predicted (SEA)	10.3539
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	104.941