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

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENYLPROPYL BUTYRATE

SMILES

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

InChI

InChIKey=SKLXPNZDCBPHCS-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:55:11 GMT 2023
Edited
by admin
on Fri Dec 15 20:55:11 GMT 2023
Record UNII
38G1J8241Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHENYLPROPYL BUTYRATE
FHFI  
Systematic Name English
BUTANOIC ACID, 2-PHENYLPROPYL ESTER
Common Name English
2-PHENYLPROPYL BUTYRATE, (±)-
Systematic Name English
FEMA NO. 2891
Code English
(±)-2-PHENYLPROPYL BUTYRATE
Systematic Name English
METHYLPHENETHYL BUTYRATE, BETA-
Systematic Name English
HYDRATROPYL BUTYRATE
Systematic Name English
2-PHENYLPROPYL BUTYRATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
JECFA EVALUATION 2-PHENYLPROPYL BUTYRATE
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
1457
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
PRIMARY
CAS
80866-83-7
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID70868598
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
PRIMARY
PUBCHEM
576263
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-587-2
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
PRIMARY
FDA UNII
38G1J8241Q
Created by admin on Fri Dec 15 20:55:11 GMT 2023 , Edited by admin on Fri Dec 15 20:55:11 GMT 2023
PRIMARY