Benzyl Mercaptan
Benzyl Mercaptan
CAS: 100-53-8
Molecular Formula: C7H8S
Benzyl Mercaptan - Names and Identifiers
| Name | Benzyl Mercaptan |
| Synonyms | Benzyl Mercaptan Benzyl thioalcohol alpha-Toluenethiol Thiobenzyl alcohol phenylmethanethiol Benzenemethanethiol BenzeneMthanethiol Thiobenzyl Alcoholalpha-Toluenethiol Benzyl mercaptan,α-Toluenethiol, α-Tolyl mercaptan |
| CAS | 100-53-8 |
| EINECS | 202-862-5 |
| InChIKey | UENWRTRMUIOCKN-UHFFFAOYSA-N |
Benzyl Mercaptan - Physico-chemical Properties
| Molecular Formula | C7H8S |
| Molar Mass | 124.2 |
| Density | 1.058 g/mL at 25 °C (lit.) |
| Melting Point | -29 °C |
| Boling Point | 194-195 °C (lit.) |
| Flash Point | 158°F |
| JECFA Number | 526 |
| Water Solubility | Not miscible or difficult to mix in water. |
| Vapor Presure | 0.591mmHg at 25°C |
| Vapor Density | >4 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| Merck | 14,9322 |
| BRN | 605864 |
| pKa | 9.43(at 25℃) |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. |
| Sensitive | Air Sensitive |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.575(lit.) |
| Physical and Chemical Properties | Characteristics of colorless liquid, there is the odor of onion. boiling point 194~195 ℃ relative density 1.058g/cm3 solubility insoluble in water, soluble in ethanol, ether, soluble in carbon disulfide. |
| Use | Used as pesticide, pharmaceutical intermediates |
Benzyl Mercaptan - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R23 - Toxic by inhalation R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | 2810 |
| WGK Germany | 3 |
| RTECS | XT8650000 |
| FLUKA BRAND F CODES | 10-13-23 |
| TSCA | Yes |
| HS Code | 29309090 |
| Hazard Note | Harmful/Lachrymator |
| Hazard Class | 6.1 |
| Packing Group | III |
Benzyl Mercaptan - Upstream Downstream Industry
| Raw Materials | Formaldehyde Thiourea |
| Downstream Products | Pyridaben |
Benzyl Mercaptan - Nature
Open Data Verified Data
colorless liquid, with the odor of onion. Boiling point 194~195 deg C. Density (20 degrees C) 1.058g/cm3. Insoluble in water, soluble in ethanol, ether, soluble in carbon disulfide. It can be oxidized to dibenzyl disulfide in air.
Last Update：2025-06-10 22:55:16
Benzyl Mercaptan - Preparation Method
Open Data Verified Data
S-benzylisothiourea hydrochloride and 10% sodium hydroxide solution were put into a reactor, and the mixture was heated under reflux for 2H under direct heat to conduct hydrolysis. Then, the mixture was cooled, acidified with dilute sulfuric acid, extracted with ether, and the extract was dried over anhydrous sodium sulfate. Then, the desiccant was filtered off and the ether was recovered. 6664kPa) of the fraction, that is, the finished product.
Last Update：2022-01-01 10:55:58
Benzyl Mercaptan - Application
Open Data Verified Data
raw materials for organic synthesis.
Last Update：2025-08-19 16:24:40
Benzyl Mercaptan - Safety
Open Data Verified Data
has strong irritation, and its stimulation threshold to human tissues is 5 × 10-6. Production equipment should be closed, the workshop should have good ventilation. The operator should wear protective equipment. Skin, eyes, immediately rinse with water.
It was tightly sealed in glass bottle and coated with iron drum. Store in a cool, dry, ventilated place, sunscreen, moisture, away from fire, heat source. Storage and Transportation shall be carried out according to the regulations for irritating articles.
Last Update：2025-06-10 22:55:16
Benzyl Mercaptan - Reference Information
| FEMA | 2147 | BENZYL MERCAPTAN |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Properties | Benzyl mercaptan is also called thiobenzyl alcohol, benzyl mercaptan, and α-mercaptotoluene. Colorless to light yellow liquid. It has a onion-like smell. It is easily oxidized in the air to form dibenzyl disulfide. Insoluble in water, soluble in ethanol and ether. Toxic. It is irritating and irritating to the skin, eyes and mucous membranes. |
| apply | benzyl mercaptan organic synthesis intermediate, pesticide herbicide "kaodan" and pesticide "chloracaricide", fungicide "kexojing" and other raw materials. Benzyl mercaptan is mainly used to synthesize other compounds with certain activity, such as thiourethane, whose scientific name is O-alkyl-N-alkyl thiocarbamate. It is a kind of sulfide ore flotation reagent with excellent performance. Compared with conventional sulfide ore collectors such as xanthate and black medicine, it has the advantages of good selectivity, small dosage, foaming, and effective separation of valuable minerals and gangue minerals under low alkali conditions, it is widely used in the flotation of various copper ore, gold ore, lead-zinc ore, and is a kind of non-ionic sulfide ore collector that is widely used and studied in flotation. |
| preparation | benzyl thiourea hydrochloride is used as raw material, hydrolyzed in 10% sodium hydroxide solution to generate benzyl thiol sodium, desalted with acid to generate crude benzyl thiol, take out the organic phase, extract with ether, distill the extraction phase under reduced pressure, recover the ether, wash with water, dry, and then rectify under reduced pressure to obtain benzyl thiol. |
| product characteristics | benzyl mercaptan is an edible perfume allowed by GB2760-1996 regulations in my country, also known as thiobenzyl alcohol, benzyl mercaptan, and α-mercaptol. The appearance is a colorless to light yellow liquid with a onion-like smell. It is easily oxidized in the air to form dibenzyl disulfide, with 124.22 relative molecular mass and 1.058 relative density, boiling point 194~195 ℃, flash point 70 ℃, refractive index 1.5751, insoluble in water, soluble in ethanol and ether, toxic, irritating, irritating skin, eyes and mucous membranes. The preparation method is based on benzyl thiourea hydrochloride as raw material, hydrolyzed in a 10% sodium hydroxide solution to generate sodium benzyl mercaptan, desalted with acid to generate crude semi-finished products, the organic phase is taken out, and the extraction phase is extracted with ether Distilled under reduced pressure, after the ether is recovered, washed with water, dried, and then rectified under reduced pressure to obtain the finished product of benzyl mercaptan. This product is mainly used as an organic synthesis intermediate and a raw material for the production of carbamate pesticides such as the herbicides "Benzothalone and Kicaodan" and the insecticide "chloracidicide" and the fungicide "Kesujing. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): beverage 0.15~0.25; Cold drinks 0.15~0.50; Candy and baked goods 0.50~0.75. FDA,§ 172.515: Limited to Moderate Amount. |
| Use | Used as pesticide and pharmaceutical intermediate Food flavor. Organic synthesis intermediates. |
| Production method | It is obtained by hydrolysis of benzyl isothiourea hydrochloride with alkali, and then acidification with dilute sulfuric acid. S-benzyl isothiourea hydrochloride and 10% sodium hydroxide solution were added to the reactor, and hydrolysis was carried out by direct fire heating and reflux for 2h. Then it is cooled and acidified with dilute sulfuric acid, extracted with ether, the ether extract is dried with anhydrous sodium sulfate, the desiccant is filtered out, the ether is recovered, the residue is distilled under reduced pressure, and the fraction with boiling point of 98-108 ℃(2.67kPa) is collected, which is the finished product. It is synthesized from benzyl chloride and potassium hydrosulfide. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | oral administration-rat LD50: 493 mg/kg; Abdominal cavity-mouse LD50: 100 mg/kg |
| stimulation data | eye-rabbit 106 mg moderate |
| flammability hazard characteristics | open flame is combustible; it decomposes when heated or encounters acid to produce toxic sulfur oxide gas; reacts with oxidant |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants, food additives and acids |
| fire extinguishing agent | dry powder, foam, carbon dioxide, sand. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:55:45
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Raw Materials for Benzyl Mercaptan
Downstream Products for Benzyl Mercaptan