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