4-(1-PROPYL-1,2-DIMETHYLBUTYL)PHENOL

Details

Stereochemistry	MIXED
Molecular Formula	C15H24O
Molecular Weight	220.3505
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(1-PROPYL-1,2-DIMETHYLBUTYL)PHENOL

Structure Search

SMILES

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

InChI

InChIKey=HTIWRPQYBQSDOE-UHFFFAOYSA-N

InChI=1S/C15H24O/c1-5-11-15(4,12(3)6-2)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	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
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	17997468
Separation, synthesis and estrogenic activity of 4-nonylphenols: two sets of new diastereomeric isomers in a commercial mixture.	2008 Nov	18786696

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:40:15 GMT 2023` Edited by `admin` on `Sat Dec 16 01:40:15 GMT 2023`
Record UNII	U3C231NNQF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(1-PROPYL-1,2-DIMETHYLBUTYL)PHENOL

Systematic Name

English

(±)-4-(1-PROPYL-1,2-DIMETHYLBUTYL)PHENOL

Systematic Name

English

PHENOL, 4-(1,2-DIMETHYL-1-PROPYLBUTYL)-

Systematic Name

English

4-(1-PROPYL-1,2-DIMETHYLBUTYL)PHENOL, (±)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501339659

Created by admin on Sat Dec 16 01:40:15 GMT 2023 , Edited by admin on Sat Dec 16 01:40:15 GMT 2023

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CAS

866790-13-8

Created by admin on Sat Dec 16 01:40:15 GMT 2023 , Edited by admin on Sat Dec 16 01:40:15 GMT 2023

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FDA UNII

U3C231NNQF

Created by admin on Sat Dec 16 01:40:15 GMT 2023 , Edited by admin on Sat Dec 16 01:40:15 GMT 2023

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PUBCHEM

71413771

Created by admin on Sat Dec 16 01:40:15 GMT 2023 , Edited by admin on Sat Dec 16 01:40:15 GMT 2023

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