4-Hydroxybutan-2-on

4-Hydroxy-2-Butanone

HCID 111509CAS 590-90-9
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Grundinformationen

Standard-SMILES
CC(=O)CCO
InChIKey
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
Summenformel
C4H8O2
Durchschnittliche Molmasse
88,11 g/mol
Monoisotopische Masse
88,0524295

Überblick

4-hydroxybutan-2-one is a beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4. It is a methyl ketone and a beta-hydroxy ketone. It is functionally related to a butan-2-one.

Namen und Bezeichner

Bevorzugter Name
4-Hydroxy-2-Butanone
IUPAC
4-hydroxybutan-2-one
Lokaler Name
4-Hydroxybutan-2-on
Englischer Name
4-Hydroxy-2-butanone
Summenformel
C4H8O2
Molmasse
88.11

Namen und Synonyme

4-Hydroxy-2-butanone4-Hydroxybutan-2-one590-90-92-Butanone, 4-hydroxy-Methylolacetone3-Oxo-1-butanol3-OxobutanolMonomethylolacetoneTCM0BJ44MF4H2B compoundNSC-41219DTXSID4060442
Weitere Namen anzeigen
CH3C(O)CH2CH2OHButanone glycolH**4-HYDROXY-2-BUTANONEketobutanol
CHEBI:41268RefChem:99148DTXCID2042519209-693-63-Ketobutan-1-ol4-Butanol-2-one2-Hydroxyethyl methyl ketoneMFCD00059005

Datenbank-Bezeichner

CAS
590-90-9、68648-26-0
PubChem CID
111509
DTXSID
DTXSID4060442
ChEBI
CHEBI:41268
UNII
TCM0BJ44MF
EC Number
209-693-6
Nikkaji
J24.210A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,8
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
SolventsSolvents -> Other Solvents
SpringerMaterials PropertiesDiamagnetic susceptibility
Vapor Pressure0.85 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
15 °C · 15°C (estimate)
Siedepunkt
73 · 73-76 °C/12 mmHg (lit.)
Dichte
1.023 g/mL · 1.023 g/mL at 25 °C (lit.)
Brechungsindex
1.43 · 1.430
Flammpunkt
91 °F · 91°F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (27.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 17-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16317
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 3-Hydroxy-3-methyl-2-butanone.
Hazard Classes and CategoriesFlam. Liq. 3 (27.3%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1993
hs_code
29144000
risk_code
10
safety_code
16-24/25

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Butanone, 4-hydroxy-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4-Hydroxy-2-butanone is used in the preparation of fused benzazepine molecules as selective D3 receptor antagonists with pharmaceutical activity. It is also used in the preparation of verrucarin and mevalonic acid lactone. Further, it is used to prepare 3-buten-2-one through dehydration over an anatase titanium dioxide catalyst. It is also employed in the preparation of 4-methyl-5-hydroxymethylthiazole, (±)-lineatin and beta-hydroxylactones.

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]
T&W GROUP021-61551611 13296011611 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4.

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