137-06-4
Product Name:
2-Methylbenzenethiol
Formula:
C7H8S
Synonyms:
o-Thiocresol;2-Methylbenzenethiol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to pale yellow liquid; [Merck Index] Very offensive odor; [CHEMINFO] Liquid with a stench; mp = 10-12 deg C; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 195 °C |
| Melting Point | 15 °C |
| Flash Point | 64 °C |
| Solubility | Sol in alcohol, ether; insol in water |
| Density | 1.041 @ 20 °C/4 °C |
| Vapor Pressure | 0.81 [mmHg] |
| Decomposition | When heated to decomposition it emits toxic fumes of /sulfur oxides/. |
| Odor Threshold | Odor Threshold Low: 0.002 [mmHg] [Merck Index] Odor threshold (100% recognition) from CHEMINFO |
| Refractive Index | Index of refraction: 1.570 @ 20 °C/4 °C |
| Dissociation Constants | pKa= 6.64 @ 26 °C |
| Other Experimental Properties | When heated to decomp it emits toxic fumes of SOx. |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 124.21 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 124.03467143 g/mol |
| Monoisotopic Mass | 124.03467143 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 70.8 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Methylbenzenethiol is a thiol.