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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O2
Molecular Weight 204.2649
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL CINNAMATE

SMILES

CC(C)COC(=O)\C=C\C1=CC=CC=C1

InChI

InChIKey=IQZUZPKOFSOVET-CMDGGOBGSA-N
InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

HIDE SMILES / InChI

Approval Year

Name Type Language
FEMA NO. 2193
Preferred Name English
ISOBUTYL CINNAMATE
FCC   FHFI  
Systematic Name English
2-METHYLPROPYL CINNAMATE
Systematic Name English
ISOBUTYL 3-PHENYLACRYLATE
Systematic Name English
ISOBUTYL 3-PHENYLPROPENOATE
Systematic Name English
LABDANOL
Common Name English
NSC-404181
Code English
2-PROPENOIC ACID, 3-PHENYL-, 2-METHYLPROPYL ESTER
Common Name English
ISOBUTYL CINNAMATE [FHFI]
Common Name English
ISOBUTYL CINNAMATE [FCC]
Common Name English
CINNAMIC ACID, ISOBUTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOBUTYL CINNAMATE
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
Code System Code Type Description
CAS
122-67-8
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID2047646
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY
NSC
404181
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-564-0
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY
PUBCHEM
778574
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY
JECFA MONOGRAPH
552
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY
FDA UNII
4NCI0MR7KP
Created by admin on Mon Mar 31 18:37:15 GMT 2025 , Edited by admin on Mon Mar 31 18:37:15 GMT 2025
PRIMARY