ChemicalBook--->CAS DataBase List--->116-09-6

116-09-6

116-09-6 Structure

116-09-6 Structure
IdentificationMore
[Name]

Hydroxyacetone
[CAS]

116-09-6
[Synonyms]

1-HYDROXY-2-PROPANONE
2-OXOPROPYL ALCOHOL
ACETOL
ACETYL CARBINOL
AKOS BBS-00004485
HYDROXY-2-PROPANONE
HYDROXYACETONE
1-hydroxy-2-propanon
1-Hydroxyacetone
1-hydroxy-propan-2-one
1-hydroxypropan-2-one
2-oxopropanol
acetylmethanol
alpha-hydroxyacetone
CH3C(O)CH2OH
hydroxyacetone (acetol)
hydroxymethylmethylketone
hydroxypropan-2-one
Hydroxypropanone
Methanol, acetyl-
[EINECS(EC#)]

204-124-8
[Molecular Formula]

C3H6O2
[MDL Number]

MFCD00004669
[Molecular Weight]

74.08
[MOL File]

116-09-6.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to yellow liquid
[Melting point ]

-17 °C (lit.)
[Boiling point ]

145-146 °C (lit.)
[density ]

1.082 g/mL at 25 °C(lit.)
[vapor pressure ]

9.01hPa at 25℃
[FEMA ]

4462 | HYDROXYACETONE
[refractive index ]

n20/D 1.425(lit.)
[Fp ]

133 °F
[storage temp. ]

2-8°C
[solubility ]

water: miscible
[form ]

clear liquid
[pka]

13.14±0.10(Predicted)
[color ]

Colorless liquid
[Specific Gravity]

1.090 (20/4℃)
[Odor]

at 10.00 % in dipropylene glycol. pungent sweet caramellic ethereal
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. Protect from moisture-hygroscopic.
[Odor Type]

caramellic
[Water Solubility ]

Miscible with water, alcohol and ether.
[Sensitive ]

Hygroscopic
[JECFA Number]

1945
[Merck ]

14,65
[BRN ]

605368
[Henry's Law Constant]

7.7×101 mol/(m3Pa) at 25℃, Lee and Zhou (1993)
[InChI]

1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
[InChIKey]

XLSMFKSTNGKWQX-UHFFFAOYSA-N
[SMILES]

CC(=O)CO
[LogP]

0.3 at 25℃
[CAS DataBase Reference]

116-09-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propanone, 1-hydroxy-(116-09-6)
[EPA Substance Registry System]

116-09-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Risk Statements ]

2017/10/16
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

1
[RTECS ]

UC2800000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29144090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Muta. 2
[Safety Profile]

Moderately toxic by ingestion. Mutation data reported. An allergen. Implicated in aplastic anemia. A 10 gram dose may be fatal to an adult. skin contact, inhalation, or ingestion can cause asthma, sneezing, irritation of eyes and nose, hives, and eczema. Combustible when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes.
[Toxicity]

mmo-sat 500 mg/plate ABCHA6 47,2461,83
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Potassium bromide-->Bromoacetone-->Potassium formate
[Preparation Products]

Solvent Yellow 114-->2-methylquinolin-3-ol-->Glycidyl methyl ether-->1,3-Dioxolane-4-methanol-->Trimethylene oxide-->Glycerol formal-->2,4-Dimethyl-1,3-dioxolane-2-methanol-->3,5-DiMethylMorpholine-->2-(2-Hydroxypropoxy)-1-propanol-->2-ethyl-4-methyl-1,3-dioxolane-->Acetic acid-->Furfural
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetol(116-09-6).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless to yellow liquid
[Uses]

Hydroxyacetone is a chemical reagent used in various organic chemical reactions. It is a component of the Mannich reaction, amino acid caalyzes direct asymmetric aldol reactions. In the pharmaceutical setting, this compound is used in the synthesis of imidazoles acting as potent and orally active antihypertensive agents.
[Uses]

Hydroxyacetone is used as a reagent in organic chemical reactions. It also serves as a component for Mannich reaction and aldol reactions. It is also used in the syntheses of 2-oxo-propionaldehyde, imidazoles, polyols, acrolein, dyes and skin tanning agents. It yields (R)-1,2-propanediol upon reduction of hydroxyacetone in the presence of a microbial cell catalyst.
[Uses]

Reagent in organic synthesis; protecting group for the synthesis of peptides.
[Definition]

ChEBI: A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group.
[General Description]

Hydroxyacetone (Acetol) is important for the manufacture of polyols, acrolein, dyes and skin tanning agents. It undergoes asymmetric reduction to yield (R)-1,2-propanediol in the presence of microbial cell catalyst.
[Synthesis]

from Bromoacetone plus sodium formate, followed by Methanol hydrolysis of the formed ester. Or by biochemical synthesis from Propylene glycol with sorbose bacterium.
[storage]

4°C, stored under nitroge
Spectrum DetailBack Directory
[Spectrum Detail]

Hydroxyacetone(116-09-6)MS
Hydroxyacetone(116-09-6)1HNMR
Hydroxyacetone(116-09-6)13CNMR
Hydroxyacetone(116-09-6)IR1
Hydroxyacetone(116-09-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Hydroxyacetone, 95%(116-09-6)
[Sigma Aldrich]

116-09-6(sigmaaldrich)
[TCI AMERICA]

Hydroxyacetone,>80.0%(GC)(116-09-6)
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