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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O2
Molecular Weight 204.2649
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments Assumed E-isomer (MM2 minimum energy of E and Z are 8.1745 and 12.8451 kcal/mol)

SHOW SMILES / InChI
Structure of CINNAMYL BUTYRATE

SMILES

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

InChI

InChIKey=YZYPQKZWNXANRB-UXBLZVDNSA-N
InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+

HIDE SMILES / InChI

Approval Year

Name Type Language
CINNAMYL BUTYRATE
FCC   FHFI  
Systematic Name English
FEMA NO. 2296
Code English
CINNAMYL BUTANOATE
Systematic Name English
CINNAMYL BUTYRATE [FHFI]
Common Name English
BUTYRIC ACID, CINNAMYL ESTER
Common Name English
3-PHENYL-2-PROPEN-1-YL BUTANOATE
Systematic Name English
BUTANOIC ACID, 3-PHENYL-2-PROPENYL ESTER
Common Name English
NSC-30528
Code English
BUTANOIC ACID, 3-PHENYL-2-PROPEN-1-YL ESTER
Common Name English
CINNAMYL BUTYRATE [FCC]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
JECFA EVALUATION CINNAMYL BUTYRATE
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
Code System Code Type Description
NSC
30528
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY
MESH
C022299
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY
FDA UNII
TKZ9V37P1G
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY
CAS
78761-39-4
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY
PUBCHEM
5355254
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY
JECFA MONOGRAPH
691
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY
CAS
103-61-7
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
203-128-7
Created by admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
PRIMARY