羟基丙酮

Description

hydroxyacetone · CAS 116-09-6 · C3H6O2. UNII 7I7YM0835W. Boiling Point: 145.00 to 146.00 °C. @ 760.00 mm Hg; Boiling Point: 145-146 °C; Boiling Point: 146 °C @760 [mm Hg].

Identification

CAS Registry Number	116-09-6
PubChem CID	8299
Molecular formula	C3H6O2
IUPAC name	1-hydroxypropan-2-one
UNII (FDA)	7I7YM0835W
FEMA number	4462
JECFA number	1945

Computed Descriptors

Molecular Weight	74.08
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	74.036779430
Monoisotopic Mass	74.036779430
Topological Polar Surface Area	37.3
Heavy Atom Count	5
Formal Charge	0

Physical & Chemical Properties

Boiling Point	145.00 to 146.00 °C. @ 760.00 mm Hg
Boiling Point	145-146 °C
Boiling Point	146 °C @760 [mm Hg]
Melting Point	-17 °C
Solubility	1.00E+06 mg/L @ 20 °C (exp)
Density	1.079-1.085 (20 °C)
Density	1.082 @ 20°C
Vapor Pressure	2.95 [mmHg]
Vapor Pressure	2.2 [mm Hg] @20 °C
Refractive Index	1.419-1.430

Physical description & handling notes

• Colorless liquid with a peculiar odor; [Merck Index] Clear light yellow liquid; [Aldrich MSDS]
• Liquid
• Clear colourless to yellow liquid; Pungent, sweet-caramellic, somewhat choking etheral aroma
• Soluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Butter, Herb, Malt, Pungent No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	34.9% (114 / 327)

GHS Hazard Classification

GHS notification summary	34.9% (114 / 327)
Reported hazard statements	H226 (65.1%), H341 (16.5%)

Documented Uses

• Used in organic synthesis (reagent) and peptide synthesis (protecting group); [Merck Index] Used as a solvent for nitrocellulose; [Hawley]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 2-Propanone, 1-hydroxy-: ACTIVE

Synonyms

Hydroxyacetone; 116-09-6; Acetol; 1-hydroxypropan-2-one; Acetone alcohol; 2-Propanone, 1-hydroxy-; 1-Hydroxy-2-propanone; 1-Hydroxyacetone; ACETYLCARBINOL; Acetylmethanol; 2-Oxopropanol; Pyruvic alcohol; Hydroxy-2-propanone; Pyruvinalcohol; Hydroxymethyl methyl ketone; 2-Ketopropyl alcohol

Frequently Asked Questions

What are the CAS number and molecular formula of hydroxyacetone?

CAS 116-09-6; molecular formula C3H6O2; molecular weight — g/mol.

What other names is hydroxyacetone known by?

Hydroxyacetone, 116-09-6, Acetol, 1-hydroxypropan-2-one, Acetone alcohol, 2-Propanone, 1-hydroxy-.

What is the regulatory status of hydroxyacetone?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is hydroxyacetone classified as hazardous?

34.9% of GHS notifications report no hazard classification (114 of 327).

What are the key physical properties of hydroxyacetone?

Boiling Point: 145.00 to 146.00 °C. @ 760.00 mm Hg; Boiling Point: 145-146 °C; Boiling Point: 146 °C @760 [mm Hg]; Melting Point: -17 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.