2,6-dimethyl-benzenethio
2,6-dimethylbenzenethiol
CAS: 118-72-9
Molecular Formula: C8H10S
2,6-dimethyl-benzenethio - Names and Identifiers
| Name | 2,6-dimethylbenzenethiol |
| Synonyms | FEMA 3666 FEMA No. 3666 2,6-Xylenethiol 2,6-Xylyl mercaptan 2,6-Dimethylthiophenol 2,6-DIMETHYLTHIOPHENOL 2,6-Dimethylbenzolthiol 2,6-Dimethylphenylthiol Vortioxetine Impurity 44 2,6-Dimethylbenzenethiol 2,6-dimethylbenzenethiol 2,6-dimethyl-benzenethio 2,6-DIMETHYLBENZENETHIOL 2,6-dimethylbenzenethiolate Benzenethiol, 2,6-dimethyl- O-Toluenethiol 2,6-Dimethyl benzenethiol |
| CAS | 118-72-9 |
| EINECS | 204-272-3 |
| InChI | InChI=1/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3/p-1 |
| InChIKey | QCLJODDRBGKIRW-UHFFFAOYSA-N |
2,6-dimethyl-benzenethio - Physico-chemical Properties
| Molecular Formula | C8H10S |
| Molar Mass | 138.23 |
| Density | 1.038g/mLat 25°C |
| Melting Point | -30°C (estimate) |
| Boling Point | 122°C50mm Hg |
| Flash Point | 186°F |
| JECFA Number | 530 |
| Vapor Presure | 0.187mmHg at 25°C |
| Specific Gravity | 1.038 |
| BRN | 1099405 |
| pKa | 7.03±0.50(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.575 |
| Physical and Chemical Properties | Colorless to yellow liquid. There is a strong pungent taste, a meat-like, roasting, phenolic and sulfur flavor. Boiling Point 87. Slightly soluble in water, soluble in oil. Natural products are present in cooked beef and the like. |
2,6-dimethyl-benzenethio - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 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. S36 - Wear suitable protective clothing. S7/9 - |
| UN IDs | UN 3334 |
| WGK Germany | 2 |
| TSCA | T |
| HS Code | 29309090 |
| Hazard Class | 6.1 |
2,6-dimethyl-benzenethio - Reference Information
| FEMA | 3666 | 2,6-DIMETHYLTHIOPHENOL |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| Use | FEMA(mg/kg): baked goods, breakfast cereals, 3.0; Meat products 1.0; Soft candy 1.5; gelatin jelly, pudding, 0.25; Soup 2.0; Snack food, gum, 5.0; Beverage 0.05; Sauce, dairy products, cheese, egg products, spices, nuts products, 0.5; Hard candy 2.5. |
Last Update：2024-04-09 20:45:29
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