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Basic Information
CAS No.: 51755-66-9
Name: 3-(Methylthio)-1-hexanol
Article Data: 3
Molecular Structure:
Molecular Structure of 51755-66-9 (3-(Methylthio)-1-hexanol)
Formula: C7H16OS
Molecular Weight: 148.269
Synonyms: 3-(Methylthio)-1-hexanol;3-(Methylthio)hexanol;3-Methylthio hexanol;
EINECS: 257-380-8
Density: 0.95 g/cm3
Boiling Point: 160.3 °C at 760 mmHg
Flash Point: 107.8 °C
Appearance: Clear slightly yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 45.53000
LogP: 1.90050
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Chemistry

IUPAC Name: 3-Methylsulfanylhexan-1-ol 
Following is the structure of 1-Hexanol,3-(methylthio)- (CAS NO.51755-66-9):
                         
Empirical Formula: C7H16OS
Molecular Weight: 148.2663 g/mol
EINECS: 257-380-8
Index of Refraction: 1.475
Molar Refractivity: 43.96 cm3
Molar Volume: 155.9 cm3
Density: 0.95 g/cm3
Flash Point: 107.8 °C
Surface Tension: 33.5 dyne/cm
Enthalpy of Vaporization: 46.22 kJ/mol
Boiling Point: 160.3 °C at 760 mmHg
Vapour Pressure: 0.841 mmHg at 25 °C
Product Categories: sulfide Flavor; Organic Building Blocks; Sulfides / Disulfides; Sulfur Compounds; Alphabetical Listings; Flavors and Fragrances; M-N
Appearance: Colorless liquid
Canonical SMILES: CCCC(CCO)SC
InChI: InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
InChIKey: JSASXSHMJYRPCM-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

Specification

 1-Hexanol,3-(methylthio)- (CAS NO.51755-66-9), its Synonyms are 3-(Methylmercapto)-1-hexanol ; 3-(Methylthio)-1-hexanol ; 3-(Methylthio)hexanol ; 3-(Methylthio)hexan-1-ol ; FEMA No. 3438 .