U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMYL PHENYLACETATE

SMILES

CC(C)CCOC(=O)CC1=CC=CC=C1

InChI

InChIKey=QWBQBUWZZBUFHN-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:36:31 GMT 2025
Edited
by admin
on Mon Mar 31 18:36:31 GMT 2025
Record UNII
E5RHQ50DDC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOAMYL PHENYL ACETATE
FCC  
Preferred Name English
ISOAMYL PHENYLACETATE
FHFI  
Systematic Name English
FEMA NO. 2081
Code English
ISOAMYL PHENYLACETATE [FHFI]
Common Name English
BENZENEACETIC ACID, 3-METHYLBUTYL ESTER
Common Name English
NSC-60582
Code English
PHENYLACETIC ACID, ISOPENTYL ESTER
Common Name English
ISOPENTYL PHENYLACETATE
Systematic Name English
ISOPENTYL ALCOHOL, PHENYLACETATE
Systematic Name English
ISOAMYL PHENYL ACETATE [FCC]
Common Name English
ACETIC ACID, PHENYL-, ISOPENTYL ESTER
Common Name English
3-METHYLBUTYL PHENYLACETATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
JECFA EVALUATION ISOAMYL PHENYLACETATE
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
Code System Code Type Description
EVMPD
SUB185036
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
PUBCHEM
7600
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
FDA UNII
E5RHQ50DDC
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
JECFA MONOGRAPH
947
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
SMS_ID
100000170868
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
NSC
60582
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID2044501
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
EVMPD
SUB178197
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
CAS
102-19-2
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-012-6
Created by admin on Mon Mar 31 18:36:31 GMT 2025 , Edited by admin on Mon Mar 31 18:36:31 GMT 2025
PRIMARY