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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 PHENETHYL TIGLATE

SMILES

C\C=C(/C)C(=O)OCCC1=CC=CC=C1

InChI

InChIKey=KVMWYGAYARXPOL-QDEBKDIKSA-N
InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+

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 18:35:14 GMT 2023
Edited
by admin
on Fri Dec 15 18:35:14 GMT 2023
Record UNII
121LO7146V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYL TIGLATE
FHFI  
Systematic Name English
2-BUTENOIC ACID, 2-METHYL-, 2-PHENYLETHYL ESTER, (E)-
Common Name English
2-BUTENOIC ACID, 2-METHYL-, 2-PHENYLETHYL ESTER, (2E)-
Common Name English
FEMA NO. 2870
Code English
PHENETHYL TIGLATE [FHFI]
Common Name English
NSC-69122
Code English
2-PHENYLETHYL TIGLATE
Systematic Name English
.BETA.-PHENYLETHYL TIGLATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION PHENETHYL TIGLATE
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID8047684
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY
NSC
69122
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY
PUBCHEM
5357002
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY
CAS
55719-85-2
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY
JECFA MONOGRAPH
930
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-774-5
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY
FDA UNII
121LO7146V
Created by admin on Fri Dec 15 18:35:14 GMT 2023 , Edited by admin on Fri Dec 15 18:35:14 GMT 2023
PRIMARY