4-Methyl-4-mercapto-2-pentanone supplier

Name
4-Mercapto-4-methylpentan-2-one
EINECS 243-386-8
CAS No. 19872-52-7
Article Data15
CAS DataBase
Density 0.952 g/cm³
Solubility Soluble in water.
Melting Point
Formula C₆H₁₂O_S
Boiling Point 181.7 °C at 760 mmHg
Molecular Weight 132.227
Flash Point 63.7 ºC
Transport Information
Appearance
Safety 26
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Mercapto-2-methylpentan-4-one;4-Mercapto-4-methyl-2-pentanone;4-Methyl-4-sulfanylpentan-2-one;
PSA 55.87000
LogP 1.67390

4-Methyl-4-mercapto-2-pentanone Chemical Properties

IUPAC Name: 4-methyl-4-sulfanylpentan-2-one

Molecular Formula: C₆H₁₂O_S
Molecular Weight: 132.22g/mol
Mol File: 19872-52-7.mol
EINECS: 243-386-8
Index of Refraction: 1.456
Molar Refractivity: 37.73 cm³
Molar Volume: 138.7 cm³
Boiling point: 181.7 °C at 760 mmHg
Flash Point: 63.7 °C
Density: 0.952 g/cm³
Surface Tension: 29.2 dyne/cm
Enthalpy of Vaporization: 41.79 kJ/mol
Vapour Pressure: 0.843 mmHg at 25°C
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 2-Pentanone,4-mercapto-4-methyl- (CAS NO.19872-52-7):
Canonical SMILES: CC(=O)CC(C)(C)S
InChI: InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey: QRNZMFDCKKEPSX-UHFFFAOYSA-N
Product Categories: thiol Flavor

4-Methyl-4-mercapto-2-pentanone Specification

2-Pentanone,4-mercapto-4-methyl- , its CAS NO. is 19872-52-7, the synonyms are 4-Methyl-4-mercapto-pentan-2-one ; 2-Mercapto-2-methylpentan-4-one ; 4-Methyl-4-sulfanylpentan-2-one .

Product Name

4-Mercapto-4-methylpentan-2-one

4-Methyl-4-mercapto-2-pentanone Chemical Properties

4-Methyl-4-mercapto-2-pentanone Specification

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