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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

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

Molecular Formula C13H16O2
Molecular Weight 204.2649
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:51:13 GMT 2023
Edited
by admin
on Fri Dec 15 16:51:13 GMT 2023
Record UNII
4NCI0MR7KP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL CINNAMATE
FCC   FHFI  
Systematic Name English
FEMA NO. 2193
Code 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 Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
Code System Code Type Description
CAS
122-67-8
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID2047646
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY
NSC
404181
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-564-0
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY
PUBCHEM
778574
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY
JECFA MONOGRAPH
552
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY
FDA UNII
4NCI0MR7KP
Created by admin on Fri Dec 15 16:51:13 GMT 2023 , Edited by admin on Fri Dec 15 16:51:13 GMT 2023
PRIMARY