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| CAS No.: | 1618-26-4 |
|---|---|
| Name: | Bis(methylthio)methane |
| Molecular Structure: | |
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| Formula: | C3H8S2 |
| Molecular Weight: | 108.229 |
| Synonyms: | 2,4-Dithiapentane;Bis[methylmercapto]methane;Formaldehyde dimethyldithioacetal;Formaldehyde dimethyl mercaptal;Methylenebis[methyl sulfide];NSC 96010;Thioformaldehyde dimethyl acetal; |
| EINECS: | 216-577-9 |
| Density: | 1.021 g/cm3 |
| Melting Point: | -20.5ºC |
| Boiling Point: | 146.999 °C at 760 mmHg |
| Flash Point: | 43.889 °C |
| Solubility: | immiscible in water |
| Appearance: | Clear colourless to pale yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 50.60000 |
| LogP: | 1.66990 |
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Specification
The Bis(methylthio)methane, with the CAS registry number 1618-26-4, is also known as Methane, bis(methylthio)-. It belongs to the product categories of Industrial/Fine Chemicals; Sulfide Flavor. Its EINECS registry number is 216-577-9. This chemical's molecular formula is C3H8S2 and molecular weight is 108.23. What's more, both its IUPAC name and systematic name are the same which is called Bis(methylsulfanyl)methane. It should be stored in a cool, dry and well-ventilated place. This chemical is an organic compound known to be an important component of truffle flavor. It is used as a primary aromatic ingredient in truffle oil when combined in an olive oil base.
Physical properties about Bis(methylthio)methane are: (1)ACD/LogP: 1.245; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 5.21; (7)ACD/KOC (pH 5.5): 113.38; (8)ACD/KOC (pH 7.4): 113.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 31.942 cm3; (15)Molar Volume: 105.994 cm3; (16)Polarizability: 12.663×10-24cm3; (17)Surface Tension: 32.37 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 43.889 °C; (20)Enthalpy of Vaporization: 36.816 kJ/mol; (21)Boiling Point: 146.999 °C at 760 mmHg; (22)Vapour Pressure: 5.714 mmHg at 25 °C.
Preparation of Bis(methylthio)methane: this chemical can be prepared by dimethoxymethane with methanethiol. This reaction needs reagent BF3*Et2O and solvent CHCl3 at temperature of -78 °C. The reaction time is 5 hours. The yield is 59 %.
methane.jpg)
Uses of Bis(methylthio)methane: it is used to produce other chemicals. For example, it can react with 2,4-bis-(4-methoxy-phenyl)-cyclodiphosphathiane 2,4-disulfide to get dimethyl-4-methoxyphenylphosphonotrithioate. The reaction occurs with solvent xylene at temperature of 140 °C. The reaction time is 3 hours. The yield is 72 %.
methane.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. And it is flammable. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You must keep away from sources of ignition. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: S(C)CSC
(2) InChI: InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
(3) InChIKey: LOCDPORVFVOGCR-UHFFFAOYSA-N