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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYL BUTYRATE

SMILES

CCCC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=WFNDDSQUKATKNX-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:01:35 GMT 2023
Edited
by admin
on Fri Dec 15 15:01:35 GMT 2023
Record UNII
02E08ZN98R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYL BUTYRATE
FHFI  
Systematic Name English
2-PHENETHYL BUTANOATE
Systematic Name English
FEMA NO. 2861
Code English
BUTYRIC ACID, PHENETHYL ESTER
Common Name English
PHENYLETHYL BUTYRATE [FCC]
Common Name English
NSC-406207
Code English
BENZYLCARBINYL BUTYRATE
Common Name English
PHENYLETHYL BUTYRATE
FCC  
Systematic Name English
2-PHENYLETHYL BUTYRATE
Systematic Name English
NSC-1271
Code English
2-PHENYLETHYL BUTANOATE
Systematic Name English
PHENETHYL BUTYRATE [FHFI]
Common Name English
BUTANOIC ACID, 2-PHENYLETHYL ESTER
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
JECFA EVALUATION PHENETHYL BUTYRATE
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
Code System Code Type Description
CHEBI
87413
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-119-8
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
PUBCHEM
7658
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID6047604
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
NSC
406207
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
NSC
1271
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
JECFA MONOGRAPH
924
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
CAS
103-52-6
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY
FDA UNII
02E08ZN98R
Created by admin on Fri Dec 15 15:01:35 GMT 2023 , Edited by admin on Fri Dec 15 15:01:35 GMT 2023
PRIMARY