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

Details

Stereochemistry RACEMIC
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL .ALPHA.-ETHYL-.BETA.-METHYL-.BETA.-PHENYLGLYCIDATE

SMILES

CCOC(=O)[C@]1(CC)O[C@@]1(C)C2=CC=CC=C2

InChI

InChIKey=MNSJAWVIQMGRPA-KBPBESRZSA-N
InChI=1S/C14H18O3/c1-4-14(12(15)16-5-2)13(3,17-14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18O3
Molecular Weight 234.2909
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:38:45 GMT 2025
Edited
by admin
on Mon Mar 31 20:38:45 GMT 2025
Record UNII
150T1N4DFJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL .ALPHA.-ETHYL-.BETA.-METHYL-.BETA.-PHENYLGLYCIDATE
Common Name English
FEMA NO. 4653
Preferred Name English
(±)-ETHYL .ALPHA.-ETHYL-.BETA.-METHYL-.BETA.-PHENYLGLYCIDATE
Common Name English
ETHYL 2-ETHYL-3-METHYL-3-PHENYLGLYCIDATE, TRANS-
Common Name English
ETHYL .ALPHA.-ETHYL-.BETA.-METHYL-.BETA.-PHENYLGLYCIDATE, (±)-
Common Name English
OXIRANECARBOXYLIC ACID, 2-ETHYL-3-METHYL-3-PHENYL-, ETHYL ESTER, TRANS-
Common Name English
ETHYL TRANS-2-ETHYL-3-METHYL-3-PHENYLOXIRANE-2-CARBOXYLATE
Common Name English
HYDROCINNAMIC ACID, .ALPHA.,.BETA.-EPOXY-.ALPHA.-ETHYL-.BETA.-METHYL-, ETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
150T1N4DFJ
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY
PUBCHEM
71587032
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY
JECFA MONOGRAPH
2119
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY
CAS
19464-94-9
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY
CAS
56630-76-3
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID40173106
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY