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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-PHENYLPROPYL BUTYRATE

SMILES

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

InChI

InChIKey=SNUDRKNHOSAKGS-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3

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 18:06:33 GMT 2023
Edited
by admin
on Fri Dec 15 18:06:33 GMT 2023
Record UNII
059AL5405N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PHENYLPROPYL BUTYRATE
Systematic Name English
FEMA NO. 2424
Code English
.ALPHA.-ETHYLBENZYL BUTYRATE [FHFI]
Common Name English
.ALPHA.-PHENYLPROPYL BUTYRATE
Systematic Name English
BUTYRIC ACID, .ALPHA.-ETHYLBENZYL ESTER
Common Name English
BUTANOIC ACID, 1-PHENYLPROPYL ESTER
Common Name English
.ALPHA.-ETHYLBENZYL BUTYRATE
FHFI  
Systematic Name English
ETHYL PHENYL CARBINYL BUTYRATE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
JECFA EVALUATION ALPHA-ETHYLBENZYL BUTYRATE
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
Code System Code Type Description
CAS
10031-86-4
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
FDA UNII
059AL5405N
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
PUBCHEM
61447
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
233-094-9
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID30864192
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
JECFA MONOGRAPH
772
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY