Benzenemethanethiol,3-methyl- supplier

Name
3-METHYLBENZYL MERCAPTAN
EINECS
CAS No. 25697-56-7
Article Data3
CAS DataBase
Density 1.015 g/cm³
Solubility
Melting Point
Formula C₈H₁₀S
Boiling Point 217 °C at 760 mmHg
Molecular Weight 138.233
Flash Point 85.3 °C
Transport Information
Appearance
Safety 23-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Methanethiol,m-tolyl- (8CI);(3-Methylphenyl)methanethiol;3-Methylbenzyl mercaptan;3-Methyltoluene-a-thiol;m-Methylbenzyl mercaptan;
PSA 38.80000
LogP 2.42480

Benzenemethanethiol,3-methyl- Specification

The Benzenemethanethiol,3-methyl-, with the CAS registry number 25697-56-7, is also known as 3-Methylbenzyl mercaptan. It belongs to the product category of Sulfur. This chemical's molecular formula is C₈H₁₀S and molecular weight is 138.23. What's more, its systematic name is (3-Methylphenyl)methanethiol.

Physical properties about this chemical are: (1)ACD/LogP: 3.20; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 25.3 Å²; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 43.89 cm³; (9)Molar Volume: 136 cm³; (10)Polarizability: 17.39×10^-24cm³; (11)Surface Tension: 36.1 dyne/cm; (12)Density: 1.015 g/cm³; (13)Flash Point: 85.3 °C; (14)Enthalpy of Vaporization: 43.49 kJ/mol; (15)Boiling Point: 217 °C at 760 mmHg; (16)Vapour Pressure: 0.199 mmHg at 25 °C.

Uses of Benzenemethanethiol,3-methyl: it is used to produce 3,3'-Dimethyldibenzyldisulfid. The reaction occurs with reagent Trisparaperiodate and solvent Acetonitrile. This reaction will occur on condition of heating for 30 min. The yield is 88 %.

When you are dealing with this chemical, you should be very careful. It is harmful by inhalation, in contact with skin and it is harmful if it is swallowed. Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: SCc1cccc(c1)C
(2) InChI: InChI=1/C8H10S/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
(3) InChIKey: PNAZUQUHTIOEHF-UHFFFAOYAQ

Product Name

3-METHYLBENZYL MERCAPTAN

Benzenemethanethiol,3-methyl- Specification

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