FComEx: 1-Hydroxy-2-propanone (PC000965)

Record Information

Version

1.0

Creation date

2015-10-09 22:33:38 UTC

Update date

2017-01-19 02:36:43 UTC

FoodComEx ID

PC000965

FoodDB Record

FDB012041

Chemical Information

Name

1-Hydroxy-2-propanone

Description

Hydroxyacetone, also known as acetol or acetone alcohol, belongs to the class of organic compounds known as alpha-hydroxy ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the alpha carbon atom, relative to the C=O group. A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. Hydroxyacetone is an extremely weak basic (essentially neutral) compound (based on its pKa). Hydroxyacetone exists in all living organisms, ranging from bacteria to humans. Hydroxyacetone is a sweet, caramellic, and ethereal tasting compound. Outside of the human body, Hydroxyacetone is found, on average, in the highest concentration within corns. Hydroxyacetone has also been detected, but not quantified in, several different foods, such as black cabbages, pulses, mentha, onion-family vegetables, and rapes. This could make hydroxyacetone a potential biomarker for the consumption of these foods.

CAS Number

116-09-6

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
1-Hydroxyacetone	biospider
1-hydroxypropan-2-one	biospider
2-Ketopropyl alcohol	biospider
2-Oxopropanol	biospider
2-Propanone, 1-hydroxy-	biospider
Acetol	db_source
Acetol (van)	biospider
ACETOL, 50% SOLN	biospider
Acetone alcohol	biospider
Acetonyl alcohol	db_source
Acetylcarbinol	db_source
Acetylmethanol	biospider
CH3C(O)CH2OH	biospider
Hydroxy-2-propanone	biospider
Hydroxyacetone	db_source
Hydroxyacetone (acetol)	biospider
Hydroxymethyl methyl ketone	db_source
hydroxypropan-2-one	biospider
Hydroxypropanone	biospider
Methanol, acetyl-	biospider
Methylketol	biospider
Pyruvic alcohol	db_source
Pyruvinalcohol	biospider

Chemical Formula

C3H6O2

IUPAC name

1-hydroxypropan-2-one

InChI Identifier

InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

InChI Key

XLSMFKSTNGKWQX-UHFFFAOYSA-N

Isomeric SMILES

CC(=O)CO

Average Molecular Weight

74.0785

Monoisotopic Molecular Weight

74.036779436

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha-hydroxy ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the alpha carbon atom, relative to the C=O group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Alpha-hydroxy ketones

Alternative Parents

Substituents