-
Name
METHYL N-OCTYL SULFIDE
- EINECS 223-029-2
- CAS No. 3698-95-1
- Article Data34
- CAS DataBase
- Density 0.839 g/cm3
- Solubility
- Melting Point -47.39°C (estimate)
- Formula C9H20S
- Boiling Point 217.6 °C at 760 mmHg
- Molecular Weight 160.324
- Flash Point 89.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Sulfide,methyl octyl (6CI,7CI,8CI);Methyl n-octyl sulfide;Methyl octyl sulfide;Octyl methyl sulfide;n-Octyl methyl sulfide;1-Methylthiooctane;2-Thiadecane;Methyl 1-octylsulfide;
- PSA 25.30000
- LogP 3.70990
Octane, 1-(methylthio)- Specification
The Octane, 1-(methylthio)- is an organic compound with the formula C9H20S. The IUPAC name of this chemical is 1-methylsulfanyloctane. With the CAS registry number 3698-95-1, it is also named as Methyl octyl sulfide. Besides, it should be stored in a dark closed and well-ventilated place.
Physical properties about Octane, 1-(methylthio)- are: (1)ACD/LogP: 4.61; (2)ACD/LogD (pH 5.5): 4.61; (3)ACD/LogD (pH 7.4): 4.61; (4)ACD/BCF (pH 5.5): 1866.94; (5)ACD/BCF (pH 7.4): 1866.94; (6)ACD/KOC (pH 5.5): 7639.64; (7)ACD/KOC (pH 7.4): 7639.64; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 25.3 Å2; (10)Index of Refraction: 1.454; (11)Molar Refractivity: 51.74 cm3; (12)Molar Volume: 191 cm3; (13)Polarizability: 20.51×10-24cm3; (14)Surface Tension: 28.3 dyne/cm; (15)Density: 0.839 g/cm3; (16)Flash Point: 89.2 °C; (17)Enthalpy of Vaporization: 43.55 kJ/mol; (18)Boiling Point: 217.6 °C at 760 mmHg; (19)Vapour Pressure: 0.194 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-methanesulfinyl-octane. This reaction is a kind of Reduction. This reaction will need reagent TiI4 and solvent acetonitrile. The reaction time is 10 min with reaction temperature of 0 °C. The yield is about 84%.
.gif)
Uses of Octane, 1-(methylthio)-: it can be used to produce 1-methanesulfonyl-octane. It will need reagent acetic acid and aqueous hydrogen peroxide.
.gif)
You can still convert the following datas into molecular structure:
(1)SMILES: S(CCCCCCCC)C
(2)InChI: InChI=1/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
(3)InChIKey: AHCJTMBRROLNHV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
(5)Std. InChIKey: AHCJTMBRROLNHV-UHFFFAOYSA-N
Related Products
- Octane
- Octane dimethanesulphonate
- Octane, 1-(ethylthio)-
- Octane, 1-(methylthio)-
- Octane, 1-chloro-8-fluoro-
- Octane, 2,7-dimethyl-
- Octane, 4-bromo-
- Octane,1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)-
- Octane,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-
- Octane,1,1,3,5,7,8-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8-dodecafluoro-
- 3699-01-2
- 3699-54-5
- 36995-90-1
- 3699-66-9
- 3699-67-0
- 3700-19-4
- 37002-45-2
- 37002-48-5
- 37002-52-1
- 3700-67-2
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View