3-Hydroxy-3-methyl-2-butanone

HCID 8261CAS 115-22-0

Grundinformationen

Standard-SMILES
CC(=O)C(C)(C)O
InChIKey
BNDRWEVUODOUDW-UHFFFAOYSA-N
Summenformel
C5H10O2
Durchschnittliche Molmasse
102,13 g/mol
Monoisotopische Masse
102,06807956

Namen und Bezeichner

Bevorzugter Name
3-Hydroxy-3-methyl-2-butanone
IUPAC
3-hydroxy-3-methylbutan-2-one
Englischer Name
3-Hydroxy-3-methyl-2-butanone
Summenformel
C5H10O2
Molmasse
102.13

Namen und Synonyme

3-HYDROXY-3-METHYL-2-BUTANONE115-22-03-hydroxy-3-methylbutan-2-one2-Butanone, 3-hydroxy-3-methyl-3-MethylacetoinMethylacetoinDimethylacetylcarbinol1-Hydroxy-1-methylethyl methyl ketone2-Hydroxy-2-methyl-3-butanone2-Methyl-2-hydroxybutan-3-one3-hydroxy-3-methyl-butan-2-oneMFCD00004460
Weitere Namen anzeigen
3-HYDROXY-3-METHYL-22-Methylbutan-2-ol-3-one3-Hydroxy-3-methylbutanone3-hydroxy-3-methyl-2-butanon
Acetyldimethylcarbinol3-methyl-3-hydroxy-2-butanoneNSC 5576EINECS 204-073-1NSC-5576AKOS0091570703-Hydroxy-3-methyl-2-butanone, 95% anhydrous basis3-Hydroxy-3-ethylbutanone

Datenbank-Bezeichner

CAS
115-22-0
PubChem CID
8261
DTXSID
DTXSID60870468
ChEBI
CHEBI:179407
UNII
YYL6RC5VC2
EC Number
204-073-1
Nikkaji
J95.395D

Eigenschaften

Berechnete Struktureigenschaften

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

Experimentelle und physikochemische Eigenschaften

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Kovats Retention Index · 3 Einträge

778;779

691;700

1262;1246;1238;1243;1247;1262

Physikochemische Eigenschaften

Schmelzpunkt
84 · 84-85 °C
Siedepunkt
140 · 140-141 °C (lit.)
Dichte
0.971 g/mL · 0.971 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.415(lit.)
Flammpunkt
108 °F · 108 °F
storage temp.
Flammables area

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Diacetone alcohol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
hs_code
29144000
risk_code
10
safety_code
23-24/25-22

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Butanone, 3-hydroxy-3-methyl-: ACTIVE

Anwendungen

Verwenden3-Hydroxy-3-methyl-2-butanone used to produce 2,5-dihydroxy-2-methyl-heptan-3-one, laboratory chemicals.

Darstellung · 1 Eintrag

synthetischesynthesis of 3-Hydroxy-3-methyl-2-butanone: 19ml of concentrated sulfuric acid (98wt%) was slowly mixed with 100ml of water, then 13g of yellow mercury oxide was added within 1.5h, 84g (1.0mol) of 2-methyl-3-butyn-2-ol was added dropwise to the sulfuric acid solution containing mercury oxide at 65-75°C, Then the reaction was stirred at 65-75°C for 30min, cooled to room temperature after the reaction was completed, the reaction product was subjected to suction filtration, the filtrate after suction filtration was extracted with ether (3×20ml), and the organic phase after extraction was water and hydrogen carbonate respectively. Washed with sodium solution, the washed organic phase was dried with anhydrous magnesium sulfate, and then filtered, the filtered filtrate was concentrated by rotary evaporation and then distilled, and the 140°C fraction was collected, 45.6 g of light yellow liquid was obtained as 3-hydroxy-3-methyl-2-butanone, and the yield was 32.2%.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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