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CAS No.: | 74758-93-3 |
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Name: | Methylthiomethyl butyrate |
Molecular Structure: | |
Formula: | C6H12O2S |
Molecular Weight: | 148.22 |
Synonyms: | Methylthiomethylbutyrate;Methylthio Methyl butyrate; |
EINECS: | 277-989-2 |
Density: | 1.022 g/cm3 |
Boiling Point: | 182.3 ºC at 760 mmHg |
Flash Point: | 68.6 ºC |
Appearance: | colorless to pale yellow clear liquid |
PSA: | 51.60000 |
LogP: | 1.65020 |
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Molecular Structure of Butanoic acid,(methylthio)methyl ester (CAS NO.74758-93-3):
IUPAC Name: Methylsulfanylmethyl butanoate
Molecular Formula: C6H12O2S
Molecular Weight: 148.22
EINECS: 277-989-2
FEMA: 3879
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.458
Molar Refractivity: 39.61 cm3
Molar Volume: 145 cm3
Surface Tension: 32.4 dyne/cm
Density: 1.022 g/cm3
Flash Point: 68.6 °C
Enthalpy of Vaporization: 41.85 kJ/mol
Boiling Point: 182.3 °C at 760 mmHg
Vapour Pressure: 0.818 mmHg at 25 °C
Appearance: colorless to pale yellow clear liquid
Product Categories: aldehyde Flavor; thioester Flavor
Canonical SMILES: CCCC(=O)OCSC
InChI: InChI=1S/C6H12O2S/c1-3-4-6(7)8-5-9-2/h3-5H2,1-2H3
InChIKey: PGAUNUCMBMQPFT-UHFFFAOYSA-N
Butanoic acid,(methylthio)methyl ester (CAS NO.74758-93-3), its Synonyms are Methyl 2-methylthiobutyrate ; Methylthiomethyl butyrate ; (Methylthio)methyl butyrate .