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 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL 2,3-DIMETHYLCROTONATE

SMILES

CC(C)=C(C)C(=O)OCC1=CC=CC=C1

InChI

InChIKey=LHDWSNQMWAZQPX-UHFFFAOYSA-N
InChI=1S/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3

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 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:40:18 GMT 2023
Edited
by admin
on Fri Dec 15 18:40:18 GMT 2023
Record UNII
Q2Z1O33EAA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL 2,3-DIMETHYLCROTONATE
FHFI  
Systematic Name English
BENZYL METHYLTIGLATE
Systematic Name English
BENZYL 2,3-DIMETHYL-2-BUTENOATE
Systematic Name English
2-BUTENOIC ACID, 2,3-DIMETHYL-, PHENYLMETHYL ESTER
Common Name English
PHENYLMETHYL 2,3-DIMETHYL-2-BUTENOATE
Systematic Name English
CROTONIC ACID, 2,3-DIMETHYL-, BENZYL ESTER
Common Name English
FEMA NO. 2143
Code English
BENZYL 2,3-DIMETHYLCROTONATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
JECFA EVALUATION BENZYL 2,3-DIMETHYLCROTONATE
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
1128
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
PRIMARY
PUBCHEM
61402
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
PRIMARY
CAS
7492-69-5
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID20225894
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
PRIMARY
FDA UNII
Q2Z1O33EAA
Created by admin on Fri Dec 15 18:40:18 GMT 2023 , Edited by admin on Fri Dec 15 18:40:18 GMT 2023
PRIMARY