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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 PHENETHYL SENECIOATE

SMILES

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

InChI

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

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

PubMed

PubMed

TitleDatePubMed
[GC-MS analysis of the fatty components of pollen Typhae before and after being carbonized].
2006 Feb
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:20:33 GMT 2023
Edited
by admin
on Fri Dec 15 18:20:33 GMT 2023
Record UNII
RB4P98KP6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYL SENECIOATE
FHFI  
Systematic Name English
FEMA NO. 2869
Code English
PHENETHYL 3-METHYLBUT-2-ENOATE
Systematic Name English
PHENETHYL 3,3-DIMETHYLACRYLATE
Systematic Name English
PHENETHYL SENECIOATE [FHFI]
Common Name English
2-PHENYLETHYL 3-METHYL-2-BUTENOATE
Systematic Name English
PHENYLETHYL .BETA.,.BETA.-DIMETHYLACRYLATE
Systematic Name English
2-BUTENOIC ACID, 3-METHYL-, 2-PHENYLETHYL ESTER
Common Name English
2-PHENYLETHYL 3-METHYLBUT-2-ENOATE
Systematic Name English
PHENETHYL 3-METHYLCROTONATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
JECFA EVALUATION PHENETHYL SENECIOATE
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
Code System Code Type Description
FDA UNII
RB4P98KP6R
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
PRIMARY
CAS
42078-65-9
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
PRIMARY
PUBCHEM
61997
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-649-4
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
PRIMARY
JECFA MONOGRAPH
931
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID5068366
Created by admin on Fri Dec 15 18:20:33 GMT 2023 , Edited by admin on Fri Dec 15 18:20:33 GMT 2023
PRIMARY