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Cas Database |
| Name |
4-Methyl-4-mercapto-2-pentanone |
EINECS | 243-386-8 |
| CAS No. | 19872-52-7 | Density | 0.952 g/cm3 |
| PSA | 55.87000 | LogP | 1.67390 |
| Solubility | Soluble in water. | Melting Point |
N/A |
| Formula | C6H12OS | Boiling Point | 181.7 °C at 760 mmHg |
| Molecular Weight | 132.227 | Flash Point | 63.7 ºC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Mercapto-2-methylpentan-4-one;4-Mercapto-4-methyl-2-pentanone;4-Methyl-4-sulfanylpentan-2-one; |
Article Data | 15 |
4-Methyl-4-mercapto-2-pentanone Chemical Properties
IUPAC Name: 4-methyl-4-sulfanylpentan-2-one
Molecular Formula: C6H12OS
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 .
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