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74758-91-1

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Basic Information
CAS No.: 74758-91-1
Name: METHYLTHIOMETHYL HEXANOATE
Molecular Structure:
Molecular Structure of 74758-91-1 (METHYLTHIOMETHYL HEXANOATE)
Formula: C8H16O2S
Molecular Weight: 176.28
Synonyms: Methylthiomethylhexanoate;
EINECS: 277-988-7
Density: 0.99 g/cm3
Boiling Point: 223.9 ºC at 760 mmHg
Flash Point: 88.4 ºC
Appearance: colourless to pale yellow liquid
PSA: 51.60000
LogP: 2.43040
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Chemistry

Molecular Structure of Methylthiomethyl hexanoate (CAS NO.74758-91-1):

IUPAC Name: Methylsulfanylmethyl hexanoate 
Molecular Formula: C8H16O2S
Molecular Weight: 176.28
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 277-988-7
FEMA: 3880 
Index of Refraction: 1.461
Molar Refractivity: 48.88 cm3
Molar Volume: 178 cm3
Surface Tension: 32.7 dyne/cm
Density: 0.99 g/cm3
Flash Point: 88.4 °C
Enthalpy of Vaporization: 46.04 kJ/mol
Boiling Point: 223.9 °C at 760 mmHg
Vapour Pressure: 0.0937 mmHg at 25 °C
Appearance: colourless to pale yellow liquid
Canonical SMILES: CCCCCC(=O)OCSC
InChI: InChI=1S/C8H16O2S/c1-3-4-5-6-8(9)10-7-11-2/h3-7H2,1-2H3
InChIKey: NWSZEYNCLKNLMJ-UHFFFAOYSA-N

Specification

 Methylthiomethyl hexanoate (CAS NO.74758-91-1), its Synonyms are Hexanoic acid, (methylthio)methyl ester ; (Methylthio)methyl hexanoate .