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Details

Stereochemistry RACEMIC
Molecular Formula C15H24O
Molecular Weight 220.3505
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-ETHYL-1,4-DIMETHYLPENTYL)PHENOL

SMILES

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

InChI

InChIKey=BGLUSMSXKMBLFS-UHFFFAOYSA-N
InChI=1S/C15H24O/c1-5-15(4,11-10-12(2)3)13-6-8-14(16)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H24O
Molecular Weight 220.3505
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Regioselective synthesis of a branched isomer of nonylphenol, 4-(3',6'-dimethyl-3'-heptyl)phenol, and determination of its important environmental properties.
2001 Nov 19
In vivo metabolism and organ distribution of a branched 14C-nonylphenol isomer in pond snails, Lymnaea stagnalis L.
2003 Feb 26
The bioaccumulation and fate of a branched 14C-p-nonylphenol isomer in Lymnaea stagnalis L.
2003 Jul
A novel metabolic pathway for degradation of 4-nonylphenol environmental contaminants by Sphingomonas xenophaga Bayram: ipso-hydroxylation and intramolecular rearrangement.
2005 Apr 22
Synthesis of branched para-nonylphenol isomers: occurrence and quantification in two commercial mixtures.
2005 Sep
Identification of isomeric 4-nonylphenol structures by gas chromatography-tandem mass spectrometry combined with cluster analysis.
2006 Jan 13
The degradation of alpha-quaternary nonylphenol isomers by Sphingomonas sp. strain TTNP3 involves a type II ipso-substitution mechanism.
2006 Mar
Identification of metabolites of 4-nonylphenol isomer 4-(3',6'-dimethyl-3'-heptyl) phenol by rat and human liver microsomes.
2007 Aug
Effects of a branched p-nonylphenol isomer (4(3',6'-dimethyl-3'-heptyl)-phenol) on embryogenesis in Lymnae stagnalis L.
2007 Jan
Syntheses and estrogenic activity of 4-nonylphenol isomers.
2008 Aug
Estrogen equivalent concentration of 13 branched para-nonylphenols in three technical mixtures by isomer-specific determination using their synthetic standards in SIM mode with GC-MS and two new diasteromeric isomers.
2008 Feb
Degradation of a chiral nonylphenol isomer in two agricultural soils.
2009 Jun
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:25:18 GMT 2023
Edited
by admin
on Sat Dec 16 01:25:18 GMT 2023
Record UNII
510794F9KY
Record Status Validated (UNII)
Record Version
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Name Type Language
4-(1-ETHYL-1,4-DIMETHYLPENTYL)PHENOL
Systematic Name English
4-NONYLPHENOL 112
Common Name English
PHENOL, 4-(1-ETHYL-1,4-DIMETHYLPENTYL)-
Systematic Name English
(±)-4-(1-ETHYL-1,4-DIMETHYLPENTYL)PHENOL
Systematic Name English
4-(1-ETHYL-1,4-DIMETHYLPENTYL)PHENOL, (±)-
Systematic Name English
P-363NP
Code English
Code System Code Type Description
EPA CompTox
DTXSID301028876
Created by admin on Sat Dec 16 01:25:18 GMT 2023 , Edited by admin on Sat Dec 16 01:25:18 GMT 2023
PRIMARY
CAS
142731-63-3
Created by admin on Sat Dec 16 01:25:18 GMT 2023 , Edited by admin on Sat Dec 16 01:25:18 GMT 2023
PRIMARY
PUBCHEM
11321982
Created by admin on Sat Dec 16 01:25:18 GMT 2023 , Edited by admin on Sat Dec 16 01:25:18 GMT 2023
PRIMARY
FDA UNII
510794F9KY
Created by admin on Sat Dec 16 01:25:18 GMT 2023 , Edited by admin on Sat Dec 16 01:25:18 GMT 2023
PRIMARY