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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O
Molecular Weight 140.2227
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PENTYL-1-BUTEN-3-ONE

SMILES

CCCCCC(=C)C(C)=O

InChI

InChIKey=VBZQKPYXKJXTHZ-UHFFFAOYSA-N
InChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h2,4-7H2,1,3H3

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
FEMA NO. 3725
Preferred Name English
2-PENTYL-1-BUTEN-3-ONE
FHFI  
Systematic Name English
3-METHYLENE-2-OCTANONE
Systematic Name English
2-PENTYL-1-BUTEN-3-ONE [FHFI]
Common Name English
3-METHYLENEOCTAN-2-ONE
Systematic Name English
3-PENTYL-3-BUTEN-2-ONE
Systematic Name English
2-OCTANONE, 3-METHYLENE-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-PENTYL-1-BUTEN-3-ONE
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
Code System Code Type Description
CAS
63759-55-7
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
PRIMARY
PUBCHEM
62218
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID3069986
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
PRIMARY
FDA UNII
U0DN158008
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
PRIMARY
JECFA MONOGRAPH
1081
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
264-448-0
Created by admin on Mon Mar 31 19:30:31 GMT 2025 , Edited by admin on Mon Mar 31 19:30:31 GMT 2025
PRIMARY