3,5-Dimethylbenzenethiol , 97% , 38360-81-5

Synonym(s):
3,5-Dimethylthiophenol

CAS NO.：38360-81-5

Empirical Formula: C8H10S

Molecular Weight: 138.23

MDL number: MFCD00040226

EINECS: 253-901-8

PRODUCT Properties

• Melting point: -30°C (estimate)
• Boiling point: 127.5 °C/50 mmHg (lit.)
• Density: 1.015 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.568(lit.)
• Flash point: 185 °F
• storage temp.: Inert atmosphere,Room Temperature
• form: Liquid
• pka: 6.82±0.11(Predicted)
• Specific Gravity: 1.015
• color: Clear yellow
• Sensitive: Stench
• BRN: 3233085
• InChI: 1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
• InChIKey: CESBAYSBPMVAEI-UHFFFAOYSA-N
• SMILES: Cc1cc(C)cc(S)c1
• LogP: 3.421 (est)
• CAS DataBase Reference: 38360-81-5(CAS DataBase Reference)
• EPA Substance Registry System: Benzenethiol, 3,5-dimethyl- (38360-81-5)

Description and Uses

3,5-Dimethylbenzenethiol may be employed as a starting reagent in the preparation of Lithium 2-lithio-3,5-dimethylbenzenethiolate. It may also be used in the preparation of 1,1,2-trichloro-4-(3,5-dimethylphenylthio)-1-buten-3-yne and 1,1,2,4-tetrachloro-4-(3,5-dimethylphenylthio)-1,3-butadiene.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
• target organs: Respiratory system
• Hazard Codes: Xi,Xn
• Risk Statements: 36/37/38-22-20/21/22
• Safety Statements: 26-36-36/37-36/37/39-23
• RIDADR: 2810
• WGK Germany: 2
• Hazard Note: Irritant/Stench
• TSCA: TSCA listed
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29309090
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Irrit. 2; Skin Irrit. 2; STOT SE 3