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Cas Database |
| Name |
S-Methyl isovalerate |
EINECS | 245-863-6 |
| CAS No. | 23747-45-7 | Density | 0.95g/cm3 |
| PSA | 42.37000 | LogP | 1.92210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H12 O S | Boiling Point | 158.1°Cat760mmHg |
| Molecular Weight | 132.227 | Flash Point | 44°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyricacid, 3-methylthio-, S-methyl ester (8CI) |
Article Data | 4 |
S-Methyl isovalerate Chemical Properties
Molecular Structure of S-Methyl isovalerate (CAS NO.23747-45-7):
IUPAC Name: S-Methyl 3-methylbutanethioate
Canonical SMILES: CC(C)CC(=O)SC
InChI: InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey: MPLWTJZAFOVXKP-UHFFFAOYSA-N
Molecular Weight: 132.22388 [g/mol]
Molecular Formula: C6H12OS
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.456
Molar Refractivity: 37.83 cm3
Molar Volume: 139 cm3
Surface Tension: 29.4 dyne/cm
Density: 0.95 g/cm3
Flash Point: 44 °C
Enthalpy of Vaporization: 39.47 kJ/mol
Boiling Point: 158.1 °C at 760 mmHg
Vapour Pressure: 2.67 mmHg at 25 °C
EINECS: 245-863-6
Product Categories: thioester Flavor
S-Methyl isovalerate Specification
S-Methyl isovalerate (CAS NO.23747-45-7), its Synonyms are Butanethioic acid, 3-methyl-, S-methyl ester ; S-Methyl 3-methylbutanethioate ; Methanethiol isovalerate ; Butanethioic acid, 3-methyl-, S-methyl ester ; S-Methyl thioisovalerate .
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