-
Name
METHYLTHIOMETHYL HEXANOATE
- EINECS 277-988-7
- CAS No. 74758-91-1
- Density 0.99 g/cm3
- Solubility
- Melting Point
- Formula C8H16O2S
- Boiling Point 223.9 ºC at 760 mmHg
- Molecular Weight 176.28
- Flash Point 88.4 ºC
- Transport Information
- Appearance colourless to pale yellow liquid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methylthiomethylhexanoate;
- PSA 51.60000
- LogP 2.43040
Methylthiomethyl hexanoate Chemical Properties
Molecular Structure of Methylthiomethyl hexanoate (CAS NO.74758-91-1):
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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
Methylthiomethyl hexanoate Specification
Methylthiomethyl hexanoate (CAS NO.74758-91-1), its Synonyms are Hexanoic acid, (methylthio)methyl ester ; (Methylthio)methyl hexanoate .
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