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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-ETHYL-1,2-DIMETHYLPENTYL)PHENOL

SMILES

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

InChI

InChIKey=WZHNJHVCYPCLCX-UHFFFAOYSA-N
InChI=1S/C15H24O/c1-5-7-12(3)15(4,6-2)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 MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
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
Separation, synthesis and estrogenic activity of 4-nonylphenols: two sets of new diastereomeric isomers in a commercial mixture.
2008 Nov
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
KV02QPG4YE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(1-ETHYL-1,2-DIMETHYLPENTYL)PHENOL
Systematic Name English
PHENOL, 4-(1-ETHYL-1,2-DIMETHYLPENTYL)-
Systematic Name English
4-(1-ETHYL-1,2-DIMETHYLPENTYL)PHENOL, (±)-
Systematic Name English
Code System Code Type Description
CAS
866790-14-9
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
71413770
Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID101339695
Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023
PRIMARY
FDA UNII
KV02QPG4YE
Created by admin on Sat Dec 16 01:55:15 GMT 2023 , Edited by admin on Sat Dec 16 01:55:15 GMT 2023
PRIMARY