4-(1,1,3-TRIMETHYLHEXYL)PHENOL

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-(1,1,3-TRIMETHYLHEXYL)PHENOL

Structure Search

SMILES

CCCC(C)CC(C)(C)C1=CC=C(O)C=C1

InChI

InChIKey=ZZUSILGUGUPOGP-UHFFFAOYSA-N

InChI=1S/C15H24O/c1-5-6-12(2)11-15(3,4)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3

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

Title	Date	PubMed
Synthesis of branched para-nonylphenol isomers: occurrence and quantification in two commercial mixtures.	2005-09	16083769
Variation in estrogenic activity among fractions of a commercial nonylphenol by high performance liquid chromatography.	2004-02	14664841

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:57:13 GMT 2025` Edited by `admin` on `Mon Mar 31 20:57:13 GMT 2025`
Record UNII	AC9X091MTH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(±)-4-(1,1,3-TRIMETHYLHEXYL)PHENOL

Preferred Name

English

4-(1,1,3-TRIMETHYLHEXYL)PHENOL

Systematic Name

English

4-(1,1,3-TRIMETHYLHEXYL)PHENOL, (±)-

Systematic Name

English

PHENOL, 4-(1,1,3-TRIMETHYLHEXYL)-

Systematic Name

English

Code System Code Type Description

CAS

174305-83-0

Created by admin on Mon Mar 31 20:57:13 GMT 2025 , Edited by admin on Mon Mar 31 20:57:13 GMT 2025

PRIMARY

EPA CompTox

DTXSID401339606

Created by admin on Mon Mar 31 20:57:13 GMT 2025 , Edited by admin on Mon Mar 31 20:57:13 GMT 2025

PRIMARY

FDA UNII

AC9X091MTH

Created by admin on Mon Mar 31 20:57:13 GMT 2025 , Edited by admin on Mon Mar 31 20:57:13 GMT 2025

PRIMARY

PUBCHEM

71353509

Created by admin on Mon Mar 31 20:57:13 GMT 2025 , Edited by admin on Mon Mar 31 20:57:13 GMT 2025

PRIMARY