Benzyl mercaptan

Benzyl mercaptan
Skeletal formula benzyl mercaptan
Ball-and-stick model of the benzyl mercaptan molecule
Names
Preferred IUPAC name
Phenylmethanethiol
Other names
alpha-Toluenethiol
Benzylthiol
Thiobenzyl alcohol
Benzyl mercaptan
alpha-Toluolthiol
Benzylhydrosulfide
Benzyl hydrosulfide
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.602 Edit this at Wikidata
UNII
  • InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 checkY
    Key: UENWRTRMUIOCKN-UHFFFAOYSA-N checkY
  • InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
    Key: UENWRTRMUIOCKN-UHFFFAOYAC
  • SCc1ccccc1
Properties
C7H8S
Molar mass 124.20 g/mol
Appearance colourless liquid
Odor Unpleasant leek or garlic-like
Density 1.058 g/mL
Melting point −30 °C (−22 °F; 243 K)
Boiling point 195 °C (383 °F; 468 K)
low
Solubility very soluble in ethanol, ether
soluble in CS2
slightly soluble in CCl4
Acidity (pKa) 9.43 (H2O)[1]
1.5751 (20 °C)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2
2
0
Flash point 70 °C (158 °F; 343 K)
Lethal dose or concentration (LD, LC):
493 mg/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

Benzyl mercaptan is an organosulfur compound with the formula C6H5CH2SH. It is a common laboratory alkylthiol that occurs in trace amounts naturally. It is a colorless, malodorous liquid.

  1. ^ Haynes, William M., ed. (2016). CRC Handbook of Chemistry and Physics (97th ed.). CRC Press. pp. 5–89. ISBN 978-1-4987-5428-6.