Hydroxyacetone

HCID 8299CAS 116-09-6
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Grundinformationen

Standard-SMILES
CC(=O)CO
InChIKey
XLSMFKSTNGKWQX-UHFFFAOYSA-N
Summenformel
C3H6O2
Durchschnittliche Molmasse
74,08 g/mol
Monoisotopische Masse
74,03677943

Überblick

Hydroxyacetone is a propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a primary alcohol, a member of propanones and a methyl ketone. It is functionally related to an acetone.

Namen und Bezeichner

Bevorzugter Name
Hydroxyacetone
IUPAC
1-hydroxypropan-2-one
Englischer Name
Hydroxyacetone
Summenformel
C3H6O2
Molmasse
74.08

Namen und Synonyme

Hydroxyacetone116-09-6Acetol1-hydroxypropan-2-oneAcetone alcohol2-Propanone, 1-hydroxy-1-Hydroxy-2-propanone1-HydroxyacetoneACETYLCARBINOLAcetylmethanol2-OxopropanolPyruvic alcohol
Weitere Namen anzeigen
1-hydroxy-propan-2-oneHydroxyacetonHydroxypropanoneMONOHYDROXYACETONE
Hydroxy-2-propanonePyruvinalcoholHydroxymethyl methyl ketone2-Ketopropyl alcohol7I7YM0835WNSC-102497DTXSID8051590CHEBI:27957

Datenbank-Bezeichner

CAS
116-09-6
PubChem CID
8299
DTXSID
DTXSID8051590
ChEBI
CHEBI:27957
UNII
7I7YM0835W
EC Number
204-124-8
Nikkaji
J2.470H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,7
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesSchoenflies notation
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 Einträge

1.079-1.085 (20 °C)

1.082 @ 20°C

Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

1.00E+06 mg/L @ 20 °C (exp)

Soluble in water

Soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
-17 °C · -17 °C (lit.)
Siedepunkt
145 · 145-146 °C (lit.)
Dichte
1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
Dampfdruck
9.01 hPa · 9.01hPa at 25℃
Brechungsindex
20 · n20/D 1.425(lit.)
FEMA
4462 · 4462 | HYDROXYACETONE

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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

Warning

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

P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 327 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2-Propanone, 1-hydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27189

Acetone alcohol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (65.1%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

6.0 [mg/m3]

66 [mg/m3]

400 [mg/m3]

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
hs_code
29144090
RTECS-Nr.
UC2800000
risk_code
2017/10/16

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in organic synthesis (reagent) and peptide synthesis (protecting group); [Merck Index] Used as a solvent for nitrocellulose; [Hawley]
Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Propanone, 1-hydroxy-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenHydroxyacetone 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. 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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group.

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