Description

Benzyl mercaptan (CAS No. 100-53-8), also known as phenylmethanethiol, is a high-purity organosulfur compound with the molecular formula C₇H₈S. This colorless to pale yellow liquid possesses a distinctive, pungent odor characteristic of thiols. As a valuable building block in organic synthesis, it features a reactive thiol (-SH) group attached to a benzyl moiety, enabling diverse chemical transformations. With a molecular weight of 124.20 g/mol, boiling point of 195°C, and density of 1.058 g/mL at 25°C, this reagent is packaged under inert gas to ensure stability. Suitable for use in pharmaceutical intermediates, fragrance synthesis, and material science applications. Available in various packaging options with ≥98% purity (GC).

Properties

• CAS Number: 100-53-8
• Complexity: 55.4
• IUPAC Name: phenylmethanethiol
• InChI: InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
• InChI Key: UENWRTRMUIOCKN-UHFFFAOYSA-N
• Exact Mass: 124.03467143
• Molecular Formula: C7H8S
• Molecular Weight: 124.21
• SMILES: C1=CC=C(C=C1)CS
• Topological: 1
• Monoisotopic Mass: 124.03467143
• Physical Description: Cream to white solid; Colorless liquid; Colorless liquid;
• Color/Form: Colorless liquid
• Odor: Repulsive, garlic-like odor
• Taste: FLAVOR THRESHOLD VALUES OF BENZYL MERCAPTAN IN WATER: 1.0 UG/L. /FROM TABLE/
• Boiling Point: 194-195 °C
• Melting Point: -30 °C
• Flash Point: 158 °F
• Solubility: Slightly soluble in carbon tetrachloride; soluble in carbon disulfide; very soluble in ethanol and ether
• Density: 1.058 at 20 °C
• Vapor Density: 4.28
• Vapor Pressure: 0.47 [mmHg]
• Odor Threshold: Odor Threshold Low: 0.0026 [ppm]
• Refractive Index: Index of refraction = 1.5751 at 20 °C/D
• Synonyms: BENZYL MERCAPTAN, Phenylmethanethiol, Benzenemethanethiol, Benzylthiol, Thiobenzyl alcohol, Toluene-alpha-thiol, Benzylhydrosulfide, Methanethiol, phenyl-, benzyl thiol, alpha-Tolyl mercaptan, phenyl-methanethiol, Toluene, alpha-mercapto-, a-toluenethiol, USAF ex-1509, .alpha.-Tolyl mercaptan, FEMA No. 2147, benzylsulfane, NSC 41897, CCRIS 9101, HSDB 2105, UNII-OS34A21OBZ, EINECS 202-862-5, OS34A21OBZ, (Thiomethyl)benzene, BRN 0605864, DODEOYL BENZYL MERCAPTAN, a-Toluenethiol, 8CI, DTXSID6026664, alpha-Mercapto-Toluene, AI3-22955, Benzenemethanethiol, 9CI, NSC-41897, TOLUENE-.ALPHA.-THIOL, DTXCID206664, BENZYL MERCAPTAN [FHFI], BENZYL MERCAPTAN [HSDB], THIOBENZYL ALCOHOL [MI], FEMA 2147, CHEBI:137674, BENZYL MERCAPTAN [USP-RS], 4-06-00-02632 (Beilstein Handbook Reference), BENZYL MERCAPTAN (USP-RS), alphaToluolthiol, a-Toluolthiol, toluene-a-thiol, alphaToluenethiol, a-Mercaptotoluene, alphaMercaptotoluene, benzyl hydrosulphide, alphaTolyl mercaptan, Methanethiol, phenyl, Toluene-I+–thiol, Toluene, alphamercapto, inchi=1/c7h8s/c8-6-7-4-2-1-3-5-7/h1-5,8h,6h, uenwrtrmuiockn-uhfffaoysa-n, 100-53-8, alpha-Toluenethiol, Benzylmercaptan, alpha-Mercaptotoluene, Phenylmethyl mercaptan, Benzyl hydrosulfide, (Mercaptomethyl)benzene, alpha-Toluolthiol, .alpha.-Toluenethiol, .alpha.-Toluolthiol, .alpha.-Mercaptotoluene, CHEMBL1224557, 16528-58-8, benzyl-MERCAPTAN, benzylmercaptane, a-Tolyl mercaptan, alpha -toluolthiol, phenyl methanethiol, BnSH, alpha -toluenethiol, MFCD00004867, alpha -mercaptotoluene, alpha -tolyl mercaptan, Benzyl mercaptan, 99%, Usaf ek-1509, SCHEMBL205, Benzyl Mercaptan – 96%, WLN: SH1R, SCHEMBL2411, Benzyl mercaptan, 99%, FG, SCHEMBL136292, SCHEMBL190816, SCHEMBL191536, SCHEMBL191768, SCHEMBL443989, SCHEMBL8745133, SCHEMBL8851768, SCHEMBL9654641, NSC41897, Tox21_200129, BDBM50325566, Benzyl mercaptan, analytical standard, NSC229567, STL299685, Thiomethyl resin (200-400 mesh), AKOS000120383, AT29982, FB05260, NSC-229567, NCGC00248534-01, NCGC00257683-01, CAS-100-53-8, FT111714, Benzyl mercaptan, purum, >=99.0% (GC), DB-003602, NS00020907, T0287, EN300-16494, A800227, Q3740628, Z55948218, F0001-0020, Benzyl mercaptan, United States Pharmacopeia (USP) Reference Standard, SDQ

Application

Benzyl mercaptan serves as a versatile reagent in organic synthesis, particularly for introducing sulfur-containing functional groups. Researchers utilize it as a precursor for synthesizing pharmaceuticals, agrochemicals, and specialty chemicals. In materials science, it acts as a surface modifier for nanoparticles and polymers. The compound also finds use in fragrance formulation, contributing to garlic-like notes in flavor compositions. Additionally, it serves as a chain transfer agent in polymerization reactions.

Safety and Hazards

GHS Hazard Statements

• H227: Combustible liquid [Warning Flammable liquids]
• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
• H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
• H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P260, P261, P264, P270, P271, P273, P280, P284, P301+P317, P304+P340, P316, P319, P320, P330, P370+P378, P391, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flammable liquids – Category 4
• Acute toxicity – Category 4
• Acute toxicity – Category 2
• Specific target organ toxicity – Single exposure – Category 3
• Hazardous to the aquatic environment – Category 1
• Hazardous to the aquatic environment – Category 1

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.