CAS 100-53-8|benzylthiol
| Common Name | benzylthiol | ||
|---|---|---|---|
| CAS Number | 100-53-8 | Molecular Weight | 124.203 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 195.3±9.0 °C at 760 mmHg |
| Molecular Formula | C7H8S | Melting Point | -29 °C |
| MSDS | ChineseUSA | Flash Point | 70.0±0.0 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | Benzyl mercaptan |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.3±9.0 °C at 760 mmHg |
| Melting Point | -29 °C |
| Molecular Formula | C7H8S |
| Molecular Weight | 124.203 |
| Flash Point | 70.0±0.0 °C |
| Exact Mass | 124.034668 |
| PSA | 38.80000 |
| LogP | 2.74 |
| Vapour density | >4 (vs air) |
| Vapour Pressure | 0.6±0.4 mmHg at 25°C |
| Index of Refraction | 1.566 |
| InChIKey | UENWRTRMUIOCKN-UHFFFAOYSA-N |
| SMILES | SCc1ccccc1 |
| Stability | Stable. Combustible. |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 493 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Behavioral - coma
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 373 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Behavioral - coma
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 178 ppm/4H
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 16 gm/kg/26W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
- REFERENCE :
- AJCAA7 American Journal of Cancer. (New York, NY) V.15-40, 1931-40. For publisher information, see CNREA8. Volume(issue)/page/year: 15,2149,1931 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0905 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H330 |
| Precautionary Statements | P260-P301 + P312 + P330-P304 + P340 + P310-P403 + P233 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic |
| Risk Phrases | R22;R23;R50/53 |
| Safety Phrases | S23-S26-S36/37/39-S45-S61-S60 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | XT8650000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2930909090 |
Customs
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| TOLUENETHIOL |
| mercaptomethylbenzene |
| benzylmercaptan |
| FEMA 2147 |
| Alpha-Toluenethiol |
| phenylmethylthiol |
| Benzyl mercaptan |
| Thiobenzyl Alcohol |
| α-toluenethiol |
| EINECS 202-862-5 |
| benzyl thiol |
| usafex-1509 |
| toluene-a-thiol |
| phenyl methanethiol |
| A-TOLUENETHIOL |
| usafek-1509 |
| Benzenemethanethiol |
| benzenemethane-thiol |
| MFCD00004867 |
| phenylmethylmercaptan |
| Phenylmethanethiol |
| benzylthiol |
