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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHENYL-2-PROPYL BUTYRATE

SMILES

CCCC(=O)OC(C)CC1=CC=CC=C1

InChI

InChIKey=ANJRGSHRMWLHFZ-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-3-7-13(14)15-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:07:47 GMT 2023
Edited
by admin
on Fri Dec 15 22:07:47 GMT 2023
Record UNII
IG60Q569XB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PHENYL-2-PROPYL BUTYRATE
Systematic Name English
1-PHENYL-2-PROPYL BUTANOATE
Systematic Name English
FEMA NO. 3197
Code English
.ALPHA.-METHYLPHENETHYL BUTYRATE [FHFI]
Common Name English
BUTANOIC ACID, 1-METHYL-2-PHENYLETHYL ESTER
Common Name English
.ALPHA.-METHYLPHENETHYL BUTYRATE
FHFI  
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ALPHA-METHYLPHENETHYL BUTYRATE
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
Code System Code Type Description
PUBCHEM
19857768
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID20867758
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
PRIMARY
CAS
68922-11-2
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
272-983-6
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
PRIMARY
JECFA MONOGRAPH
1126
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
PRIMARY
FDA UNII
IG60Q569XB
Created by admin on Fri Dec 15 22:07:47 GMT 2023 , Edited by admin on Fri Dec 15 22:07:47 GMT 2023
PRIMARY