1-Methylthio-2-propanone (HCID 6430713)

Überblick

(Methylthio)acetone is a ketone.

Namen und Bezeichner

Bevorzugter Name: 1-Methylthio-2-propanone
IUPAC: 1-methylsulfanylpropan-2-one
Englischer Name: 1-Methylthio-2-propanone
Summenformel: C4H8OS
Molmasse: 104.17

Namen und Synonyme

1-methylthio-2-propanone14109-72-9(Methylthio)acetone2-Propanone, 1-(methylthio)-1-(methylsulfanyl)propan-2-one1-(methylthio)-2-propanone2-Thia-4-pentanoneFEMA No. 3882alpha(Methylthio)acetoneS6V0DW7BQA1-Methylthio-2-propanone [FHFI]alpha-(Methylthio)propanone

Weitere Namen anzeigen

Methylthio propanone1-Methylthiopropanone1-(methylthio)acetoneacetonyl methyl sulfideAcetonyl methyl sulphide(Methylthio)acetone, 98+%1-(Methylthio)propan-2-one3-(Methylthio)-2-propanone

DTXSID30161572.ALPHA.(METHYLTHIO)ACETONE.ALPHA.-(METHYLTHIO)PROPANONERefChem:434686DTXCID5084063(Methylthio)acetone, alpha(Methylthio)acetone604-217-71-methylsulfanylpropan-2-one

Datenbank-Bezeichner

CAS: 14109-72-9
PubChem CID: 6430713
DTXSID: DTXSID30161572
ChEBI: CHEBI:179438
UNII: S6V0DW7BQA
EC Number: 604-217-7
Nikkaji: J325.159D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 42,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 51,5

Experimentelle und physikochemische Eigenschaften

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.967-0.973

Flavoring AgentsEU Flavoring substances

Solubility · 3 Einträge

very slightly

very slightly soluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2 Einträge

35.00 to 40.00 °C. @ 15.00 mm Hg

35-40 °C (15 mm Hg)

Refractive Index1.395-1.405

Physikochemische Eigenschaften

Siedepunkt: 69 · 69-70°C 30mm
Dichte: 1 · 1,023 g/cm3
Brechungsindex: 1.474 · 1.4740
FEMA: 3882 · 3882 | 1-METHYLTHIO-2-PROPANONE
Flammpunkt: 52 °C · 52°C
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless
Wichte: 1.023 · 1.023
Geruch (Odor): 0.1 % · at 0.10 % in dipropylene glycol. melon
Geruchsart: melon
Wasserlöslichkeit: Soluble in alcohol and slightly soluble in water.
JECFA Number: 495 · 495
BRN: 1737738 · 1737738
LogP: 0.49 · 0.49
CAS Datenbank: 14109 · 14109-72-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 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 1383 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: 2-Propanone, 1-(methylthio)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

ridadr: 1224
risk_code: 10
safety_code: 23-24/25
hazard_class: 3
packing_group: III

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 5 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Anwendungen

Verwenden1-Methylthio-2-propanone is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.