U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PENTYL BUTYRATE

SMILES

CCCC(C)OC(=O)CCC

InChI

InChIKey=DJOCFLQKCMWABC-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
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 21:48:48 GMT 2023
Edited
by admin
on Fri Dec 15 21:48:48 GMT 2023
Record UNII
O5709B244U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PENTYL BUTYRATE
FHFI  
Systematic Name English
1-METHYLBUTYL BUTANOATE
Systematic Name English
2-PENTYL BUTANOATE
Systematic Name English
2-PENTYL BUTYRATE [FHFI]
Common Name English
FEMA NO. 3893
Code English
BUTANOIC ACID, 1-METHYLBUTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 2-PENTYL BUTYRATE
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
1074
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
PRIMARY
CAS
60415-61-4
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-226-8
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
PRIMARY
FDA UNII
O5709B244U
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID50866810
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
PRIMARY
PUBCHEM
43263
Created by admin on Fri Dec 15 21:48:48 GMT 2023 , Edited by admin on Fri Dec 15 21:48:48 GMT 2023
PRIMARY