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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-(1,3-DIMETHYL-1-PROPYLBUTYL)PHENOL

SMILES

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

InChI

InChIKey=QQEAMCHVFKIIGX-UHFFFAOYSA-N
InChI=1S/C15H24O/c1-5-10-15(4,11-12(2)3)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
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
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
Z7L7190Y06
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(1,3-DIMETHYL-1-PROPYLBUTYL)PHENOL
Systematic Name English
PHENOL, 4-(1,3-DIMETHYL-1-PROPYLBUTYL)-
Systematic Name English
(±)-4-(1,3-DIMETHYL-1-PROPYLBUTYL)PHENOL
Systematic Name English
4-(1,3-DIMETHYL-1-PROPYLBUTYL)PHENOL, (±)-
Systematic Name English
Code System Code Type Description
CAS
142731-65-5
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
DTXSID101339669
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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FDA UNII
Z7L7190Y06
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
71344407
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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