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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-(1,1,4-TRIMETHYLHEXYL)PHENOL

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

PubMed

TitleDatePubMed
Variation in estrogenic activity among fractions of a commercial nonylphenol by high performance liquid chromatography.
2004 Feb
Synthesis of branched para-nonylphenol isomers: occurrence and quantification in two commercial mixtures.
2005 Sep
Syntheses and estrogenic activity of 4-nonylphenol isomers.
2008 Aug
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:51:18 GMT 2023
Edited
by admin
on Fri Dec 15 18:51:18 GMT 2023
Record UNII
FN6R5LIB4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(1,1,4-TRIMETHYLHEXYL)PHENOL
Systematic 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
P-252NP
Code English
Code System Code Type Description
FDA UNII
FN6R5LIB4M
Created by admin on Fri Dec 15 18:51:18 GMT 2023 , Edited by admin on Fri Dec 15 18:51:18 GMT 2023
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PUBCHEM
71586789
Created by admin on Fri Dec 15 18:51:18 GMT 2023 , Edited by admin on Fri Dec 15 18:51:18 GMT 2023
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CAS
1988-28-9
Created by admin on Fri Dec 15 18:51:18 GMT 2023 , Edited by admin on Fri Dec 15 18:51:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID801339608
Created by admin on Fri Dec 15 18:51:18 GMT 2023 , Edited by admin on Fri Dec 15 18:51:18 GMT 2023
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