Record Information
public_id FDB008160
Chemical Information
name 5-Methyl-2-hexanone
description Volatile component in fruit pulp of papaya (Carica papaya), black tea aroma and in cooked beef and egg aroma
cas_number 110-12-3
Properties
created_at 2010-04-08 22:07:57
updated_at 2013-08-28 07:39:11
moldb_smiles CC(C)CCC(C)=O
moldb_formula C7H14O
moldb_average_mass 114.1855
moldb_inchi InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
moldb_mono_mass 114.10446507
moldb_inchikey InChIKey=FFWSICBKRCICMR-UHFFFAOYSA-N
moldb_iupac 5-methylhexan-2-one
Structure Thumb
Synonyms
Synonym Source
(CH3)2CHCH2CH2COCH3 biospider
2-Hexanone, 5-methyl- biospider
2-Methyl-5-Hexanone biospider
5-Methylhexan-2-one biospider
5-Methylhexan-2-one [UN2302] [Flammable liquid] biospider
Isoamyl methyl ketone db_source
Isobutylacetone biospider
Isopentyl methyl ketone biospider
Ketone, methyl isoamyl biospider
Methyl isoamyl ketone biospider
Methyl isopentyl ketone biospider
MIAK biospider