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hydroxyacetone

CAS 116-09-6C3H6O2MW 74.08

hydroxyacetone (CAS 116-09-6) — formula C3H6O2, molecular weight 74.08; category organic chemicals.

Product Overview

CAS Number116-09-6
Molecular FormulaC3H6O2
Molecular Weight74.08
Melting Point-17 °C
Boiling Point145.00 to 146.00 °C. @ 760.00 mm Hg
LogP-0.7
ApplicationsUses: Used in organic synthesis (reagent) and peptide synthesis (protecting group), [Merck Index] Used as a solvent for nitrocellulose, [Hawley], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Propanone, 1-hydroxy-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Uses: Used in organic synthesis (reagent) and peptide synthesis (protecting group), [Merck Index] Used as a solvent for nitrocellulose, [Hawley], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Propanone, 1-hydroxy-: ACTIVE.

Technical Profile

What this product is

hydroxyacetone is a carbon-based organic compound with CAS registry number 116-09-6 and molecular formula C3H6O2 (molecular weight 74.08), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 116-09-6

Its molecular formula C3H6O2 comprises 3 C, 6 H, 2 O atoms.

Also known as: hydroxyacetone · 羟基丙酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of hydroxyacetone?

The CAS registry number of hydroxyacetone is 116-09-6.

What is the molecular formula and molecular weight of hydroxyacetone?

Molecular formula C3H6O2, molecular weight 74.08.

What other names is hydroxyacetone known by?

It is also registered under: hydroxyacetone, 羟基丙酮.

What are the documented applications of hydroxyacetone?

Recorded applications: Uses: Used in organic synthesis (reagent) and peptide synthesis (protecting group), [Merck Index] Used as a solvent for nitrocellulose, [Hawley], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Propanone, 1-hydroxy-: ACTIVE.

Which category does hydroxyacetone belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for hydroxyacetone (CAS 116-09-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number116-09-6
PubChem CID8299
Molecular formulaC3H6O2
IUPAC name1-hydroxypropan-2-one
UNII (FDA)7I7YM0835W
FEMA number4462
JECFA number1945

Computed descriptors

Molecular Weight74.08
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass74.036779430
Monoisotopic Mass74.036779430
Topological Polar Surface Area37.3
Heavy Atom Count5

Physicochemical values on record

Boiling Point145.00 to 146.00 °C. @ 760.00 mm Hg
Boiling Point145-146 °C
Boiling Point146 °C @760 [mm Hg]
Melting Point-17 °C
Solubility1.00E+06 mg/L @ 20 °C (exp)
Density1.079-1.085 (20 °C)
Density1.082 @ 20°C
Vapor Pressure2.95 [mmHg]
Vapor Pressure2.2 [mm Hg] @20 °C
Refractive Index1.419-1.430

Documented uses on record

    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

    Synonyms and trade names

    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

    Regulatory listings held on file

    Regulatory & Food ContactEU 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 summary34.9% (114 / 327)

    GHS hazard classification

    GHS notification summary34.9% (114 / 327)
    Reported hazard statementsH226 (65.1%), H341 (16.5%)

    This chemical does not meet GHS hazard criteria for 34.9% (114 of 327) of reports.

    H226 (65.1%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    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].

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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