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

Structure Search

SMILES

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

InChI

InChIKey=LBBXIXZEVCZDIZ-UHFFFAOYSA-N

InChI=1S/C15H24O/c1-5-12(2)10-11-15(3,4)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

Title	Date	PubMed
Syntheses and estrogenic activity of 4-nonylphenol isomers.	2008-08	18439648
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 19:22:44 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:44 GMT 2025`
Record UNII	FN6R5LIB4M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

P-252NP

Preferred Name

English

(±)-4-(1,1,4-TRIMETHYLHEXYL)PHENOL

Systematic Name

English

4-NONYLPHENOL [HSDB]

Common Name

English

4-(1,1,4-TRIMETHYLHEXYL)PHENOL, (±)-

Systematic Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

FN6R5LIB4M

Created by admin on Mon Mar 31 19:22:44 GMT 2025 , Edited by admin on Mon Mar 31 19:22:44 GMT 2025

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PUBCHEM

71586789

Created by admin on Mon Mar 31 19:22:44 GMT 2025 , Edited by admin on Mon Mar 31 19:22:44 GMT 2025

PRIMARY

CAS

1988-28-9

Created by admin on Mon Mar 31 19:22:44 GMT 2025 , Edited by admin on Mon Mar 31 19:22:44 GMT 2025

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EPA CompTox

DTXSID801339608

Created by admin on Mon Mar 31 19:22:44 GMT 2025 , Edited by admin on Mon Mar 31 19:22:44 GMT 2025

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