| Identification | Back Directory | [Name]
3-MERCAPTO-3-METHYLBUTANOL | [CAS]
34300-94-2 | [Synonyms]
FEMA 3854
3-MERCAPTO-3-METHYLBUTANOL
3-MERCAPTO-3-METHYLBUTAN-1-OL
3-MERCAPTO-3-METHYL-1-BUTANOL
3-Methyl-3-sulfanylbutan-1-ol
3-Sulfanyl-3-methylbutan-1-ol
3-Methyl-3-sulfanyl-1-butanol
1-Butanol,3-Mercapto-3-Methyl-
3-Mercapto-3-methyl-1-butanol>
3-MERCAPTO-3-METHYL BUTYL ALCOHOL
mercaptomethylbutanol,3-mercapto-3-methyl-1-butanol | [Molecular Formula]
C5H12OS | [MDL Number]
MFCD00101881 | [MOL File]
34300-94-2.mol | [Molecular Weight]
120.21 |
| Chemical Properties | Back Directory | [Boiling point ]
190℃ | [density ]
0.985 g/mL at 20 °C | [FEMA ]
3854 | 3-MERCAPTO-3-METHYL-1-BUTANOL | [refractive index ]
n 20/D 1.480 | [Fp ]
69℃ | [storage temp. ]
0-10°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 | [biological source]
synthetic | [Odor Type]
meaty | [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 |
| Safety Data | Back Directory | [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 |
| Hazard Information | Back Directory | [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. |
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