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3-Mercapto-2-methylpenta-1-ol

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Name

3-Mercapto-2-methylpenta-1-ol

EINECS 927-385-6
CAS No. 227456-27-1 Density 0.96 g/cm3
PSA 59.03000 LogP 1.32320
Solubility N/A Melting Point N/A
Formula C6H14OS Boiling Point 204.968 °C at 760 mmHg
Molecular Weight 134.243 Flash Point 77.762 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 227456-27-1 (3-Mercapto-2-methylpenta-1-ol) Hazard Symbols N/A
Synonyms

1-Pentanol,3-mercapto-2-methyl-;

Article Data 3

3-Mercapto-2-methylpenta-1-ol Chemical Properties

Molecular Structure of 3-Mercapto-2-methylpenta-1-ol (CAS NO.227456-27-1):

Systematic Name: 2-Methyl-3-sulfanylpentan-1-ol
SMILES: OCC(C)C(S)CC
InChI: InChI=1/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3
InChIKey: HABNNYNSJFKZFE-UHFFFAOYAQ 
Empirical Formula: C6H14OS
Molecular Weight: 134.2398
Nominal Mass: 134 Da
Average Mass: 134.2398 Da
Monoisotopic Mass: 134.076535 Da 
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.472
Molar Refractivity: 39.19 cm3
Molar Volume: 139.8 cm3
Surface Tension: 32.5 dyne/cm
Density: 0.959 g/cm3
Flash Point: 77.8 °C
Enthalpy of Vaporization: 51.33 kJ/mol
Boiling Point: 205 °C at 760 mmHg
Vapour Pressure: 0.0612 mmHg at 25 °C
FEMA: 3996
Product Categories: thiol Flavor
Mol File: 227456-27-1.mol

3-Mercapto-2-methylpenta-1-ol Specification

 3-Mercapto-2-methylpenta-1-ol (CAS NO.227456-27-1), its Synonyms are 1-Pentanol,3-mercapto-2-methyl- ; 3-Mercapto-2-methylpentanol .

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