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| | 3-MERCAPTO-3-METHYLBUTANOL Basic information |
| Product Name: | 3-MERCAPTO-3-METHYLBUTANOL | | Synonyms: | 3-MERCAPTO-3-METHYL-1-BUTANOL;3-MERCAPTO-3-METHYL BUTYL ALCOHOL;3-MERCAPTO-3-METHYLBUTAN-1-OL;3-MERCAPTO-3-METHYLBUTANOL;FEMA 3854;3-Methyl-3-sulfanyl-1-butanol;mercaptomethylbutanol,3-mercapto-3-methyl-1-butanol;3-Methyl-3-sulfanylbutan-1-ol | | CAS: | 34300-94-2 | | MF: | C5H12OS | | MW: | 120.21 | | EINECS: | | | Product Categories: | | | Mol File: | 34300-94-2.mol |  |
| | 3-MERCAPTO-3-METHYLBUTANOL Chemical Properties |
| Boiling point | 190℃ | | density | 0.985 g/mL at 20 °C | | refractive index | n 20/D 1.480 | | FEMA | 3854 | 3-MERCAPTO-3-METHYL-1-BUTANOL | | Fp | 69℃ | | storage temp. | 2-8°C | | solubility | Chloroform, Methanol (Slightly) | | form | Oil | | pka | 10.92±0.10(Predicted) | | color | Clear Colourless | | Odor | at 0.10 % in propylene glycol. roasted spicy sweet vegetable | | Odor Type | meaty | | biological source | synthetic | | JECFA Number | 544 | | Major Application | flavors and fragrances | | InChI | 1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3 | | InChIKey | GBCGIJAYTBMFHI-UHFFFAOYSA-N | | SMILES | CC(C)(S)CCO | | LogP | 0.93 | | CAS DataBase Reference | 34300-94-2 |
| Hazard Codes | Xn | | Risk Statements | 22-41 | | Safety Statements | 26-39 | | WGK Germany | 3 | | HS Code | 2930.90.9250 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1 |
| | 3-MERCAPTO-3-METHYLBUTANOL Usage And Synthesis |
| Occurrence | Reported found in coffee. | | Uses | flavors and fragrances | | Definition | ChEBI: 3-methyl-3-sulfanylbutan-1-ol is an alkanethiol that is butane substituted at position 1 by a hydroxy group and at position 3 by methyl and sulfanyl groups. A volatile organic compound found in coffee, passion fruit juice, beer and domestic cat urine. It has a role as a plant metabolite and a mammalian metabolite. It is an alkanethiol, a primary alcohol and a volatile organic compound. |
| | 3-MERCAPTO-3-METHYLBUTANOL Preparation Products And Raw materials |
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