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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYL ISOVALERATE

SMILES

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

InChI

InChIKey=JIMGVOCOYZFDKB-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
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 16:51:29 GMT 2023
Edited
by admin
on Fri Dec 15 16:51:29 GMT 2023
Record UNII
K86JE60K0L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYL ISOVALERATE
FCC   FHFI  
Systematic Name English
PHENETHYL ISOVALERATE [FHFI]
Common Name English
PHENETHYL ISOVALERATE [FCC]
Common Name English
BUTANOIC ACID, 3-METHYL-, 2-PHENYLETHYL ESTER
Common Name English
ISOVALERIC ACID, PHENETHYL ESTER
Common Name English
2-PHENYLETHYL 3-METHYLBUTANOATE
Systematic Name English
.BETA.-PHENYLETHYL ISOVALERATE
Systematic Name English
PHENYLETHYL 3-METHYLBUTYRATE
Systematic Name English
FEMA NO. 2871
Code English
NSC-21899
Code English
Classification Tree Code System Code
JECFA EVALUATION PHENETHYL ISOVALERATE
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
927
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
FDA UNII
K86JE60K0L
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
NSC
21899
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID2059693
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
CAS
140-26-1
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-406-3
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
PUBCHEM
8792
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
EVMPD
SUB176893
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY
SMS_ID
100000162876
Created by admin on Fri Dec 15 16:51:29 GMT 2023 , Edited by admin on Fri Dec 15 16:51:29 GMT 2023
PRIMARY