Name | 3-Methyl-1-butanethiol |
Synonyms | FEMA 3858 isoamylthiol isopentylthiol ISOPENTANETHIOL ISOAMYL MERCAPTAN Isoamyl mercaptan Isopentylmercaptan Isopentyl mercaptan 3-methylbutane-1-thiol mercaptanisopentylique 3-Methyl-1-butanethiol Isopentyl mercaptan~3-Methylbutanethiol Isoamyl mercaptan (3-Methylbutanethiol) |
CAS | 541-31-1 |
EINECS | 208-774-3 |
InChI | InChI=1/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
Molecular Formula | C5H12S |
Molar Mass | 104.21 |
Density | 0.835g/mLat 25°C(lit.) |
Melting Point | -133.51°C |
Boling Point | 120 °C |
Flash Point | 65°F |
JECFA Number | 513 |
Vapor Presure | 41.4 mm Hg ( 37.7 °C) |
Appearance | Liquid |
Color | Clear colorless to slightly yellow |
BRN | 635659 |
pKa | 10.41±0.10(Predicted) |
Storage Condition | Flammables area |
Sensitive | Air Sensitive |
Refractive Index | n20/D 1.4432(lit.) |
Risk Codes | R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
UN IDs | UN 1228 3/PG 2 |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29309090 |
Hazard Class | 3 |
Packing Group | II |
FEMA | 3858 | 3-METHYLBUTANETHIOL |
olfactory threshold (Odor Threshold) | 0.00000077ppm |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): baked goods, non-alcoholic drinks, breakfast cereals, cold drinks, sauces, meat products, dairy products, soft sweets, soups and sweet sauces, all 0.1~5.0; Seasoning spice 0.2~2.0. |
category | flammable liquid |
flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; decomposition of toxic sulfur oxide gas by heating and acid |
storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam |