U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HEXYLPHENOL

SMILES

CCCCCCC1=CC=C(O)C=C1

InChI

InChIKey=SZWBRVPZWJYIHI-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.
2010-04
Uptake and tissue distribution of C4-C7 alkylphenols in Atlantic cod (Gadus morhua): relevance for biomonitoring of produced water discharges from oil production.
2009-01
Characterization of alkylphenol metabolites in fish bile by enzymatic treatment and HPLC-fluorescence analysis.
2008-04
Effects of alkylphenols on glycerophospholipids and cholesterol in liver and brain from female Atlantic cod (Gadus morhua).
2007-04
Effects of alkylphenols on the reproductive system of Atlantic cod (Gadus morhua).
2007-02-28
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
[Estimation of daily intake of phenols in hospital meal samples].
2004-12
Effects of alkylphenols on redox status in first spawning Atlantic cod (Gadus morhua).
2004-07-30
Effects of alkylphenols on CYP1A and CYP3A expression in first spawning Atlantic cod (Gadus morhua).
2004-05-12
Light-sensitive microemulsions.
2004-02-17
Analysis of selected pesticides and alkylphenols in human cord blood by gas chromatograph-mass spectrometer.
2003-11-04
Glucuronidation and excretion of nonylphenol in perfused rat liver.
2003-08
Degradation of 4-amylphenol and 4-hexylphenol by a new activated sludge isolate of Pseudomonas veronii and proposal for a new subspecies status.
2003-02-11
Determination of phenolic xenoestrogens in water by liquid chromatography with coulometric-array detection.
2002-02-08
Column silylation method for determining endocrine disruptors from environmental water samples by solid phase micro-extraction.
2001-07-06
Alkylphenolic compounds and their effect on the injury rate, survival and acetylcholinesterase activity of the rat neuronal cell line PC12.
2001-07
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:36:37 GMT 2025
Edited
by admin
on Mon Mar 31 20:36:37 GMT 2025
Record UNII
3V1KE0N8D5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HEXYLPHENOL
Systematic Name English
4-HEXYLBENZOLOL
Preferred Name English
PHENOL, P-HEXYL-
Common Name English
4-N-HEXYLPHENOL
Common Name English
PHENOL, 4-HEXYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
219-501-2
Created by admin on Mon Mar 31 20:36:37 GMT 2025 , Edited by admin on Mon Mar 31 20:36:37 GMT 2025
PRIMARY
FDA UNII
3V1KE0N8D5
Created by admin on Mon Mar 31 20:36:37 GMT 2025 , Edited by admin on Mon Mar 31 20:36:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID5062425
Created by admin on Mon Mar 31 20:36:37 GMT 2025 , Edited by admin on Mon Mar 31 20:36:37 GMT 2025
PRIMARY
PUBCHEM
17132
Created by admin on Mon Mar 31 20:36:37 GMT 2025 , Edited by admin on Mon Mar 31 20:36:37 GMT 2025
PRIMARY
CAS
2446-69-7
Created by admin on Mon Mar 31 20:36:37 GMT 2025 , Edited by admin on Mon Mar 31 20:36:37 GMT 2025
PRIMARY