4-(1,1,2-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-(1,1,2-TRIMETHYLHEXYL)PHENOL

Structure Search

SMILES

CCCCC(C)C(C)(C)C1=CC=C(O)C=C1

InChI

InChIKey=AFKNSHUNGGHCGN-UHFFFAOYSA-N

InChI=1S/C15H24O/c1-5-6-7-12(2)15(3,4)13-8-10-14(16)11-9-13/h8-12,16H,5-7H2,1-4H3

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
Variation in estrogenic activity among fractions of a commercial nonylphenol by high performance liquid chromatography.	2004 Feb	14664841

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:55:15 GMT 2023` Edited by `admin` on `Sat Dec 16 01:55:15 GMT 2023`
Record UNII	5K3I6B4L3J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(1,1,2-TRIMETHYLHEXYL)PHENOL

Systematic Name

English

4-(1,1,2-TRIMETHYLHEXYL)PHENOL, (±)-

Systematic Name

English

(±)-4-(1,1,2-TRIMETHYLHEXYL)PHENOL

Systematic Name

English

PHENOL, 4-(1,1,2-TRIMETHYLHEXYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

5K3I6B4L3J

Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023

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CAS

497103-56-7

Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023

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PUBCHEM

71587752

Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023

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EPA CompTox

DTXSID401339599

Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023

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