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3,4-dimethyl thiophenol
General Material Information
| Preferred name | 3,4-dimethyl thiophenol |
| Trivial Name | 3,4-Dimethylbenzenethiol |
| Short Description | benzenethiol, 3,4-dimethyl- |
| Formula | C8 H10 S |
| CAS Number | 18800-53-8 |
| ECHA Number | 242-587-8 |
| FDA UNII | L4F41SS351 |
| Nikkaji Number | J155.604E |
| MDL | MFCD00010023 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 3,4-dimethylbenzenethiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 87799 |
| Pubchem (sid): | 135044512 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
| Flavoring agent | |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2930.90.2900 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 138.2326965332 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.622 to 8.647 |
| Refractive Index | 1.573 to 1.576 @ 20 °C |
| Boiling Point | 222 to 223°C @ 760 mm Hg |
| Vapor Pressure | 0.154 mmHg @ 25 °C |
| Flash Point TCC Value | 90 °C TCC |
| logP (o/w) | 3.328 est |
| Solubility | |
| alcohol | Yes |
| water, 50.36 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Flavor Type: Burnt | |
| burnt |
Safety Information
Safety information
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for 3,4-dimethyl thiophenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3,4-dimethyl thiophenol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):18800-53-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :87799 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 3,4-dimethylbenzenethiol |
| Chemidplus:0018800538 |