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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O2
Molecular Weight 220.3074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLPROPYL ISOVALERATE

SMILES

CC(C)CC(=O)OCCCC1=CC=CC=C1

InChI

InChIKey=LBNFCOMOXOWXCD-UHFFFAOYSA-N
InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H20O2
Molecular Weight 220.3074
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 18:53:37 GMT 2023
Edited
by admin
on Fri Dec 15 18:53:37 GMT 2023
Record UNII
9UT5Q9TKW9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLPROPYL ISOVALERATE
FHFI  
Systematic Name English
HYDROCINNAMYL ISOVALERATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, 3-PHENYLPROPYL ESTER
Common Name English
HYDROCINNAMYL 3-METHYLBUTANOATE
Systematic Name English
FEMA NO. 2899
Code English
3-PHENYLPROPYL ISOVALERATE [FHFI]
Common Name English
3-PHENYLPROPYL 3-METHYLBUTANOATE
Systematic Name English
NSC-21901
Code English
3-PHENYLPROPYL ISOPENTANOATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
JECFA EVALUATION 3-PHENYLPROPYL ISOVALERATE
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
Code System Code Type Description
PUBCHEM
62578
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY
FDA UNII
9UT5Q9TKW9
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID50202931
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-692-6
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY
JECFA MONOGRAPH
176
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY
NSC
21901
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY
CAS
5452-07-3
Created by admin on Fri Dec 15 18:53:37 GMT 2023 , Edited by admin on Fri Dec 15 18:53:37 GMT 2023
PRIMARY