Isobutylmercaptan
2-methyl-1-propanethiol
CAS: 513-44-0
Molecular Formula: C4H10S
Isobutylmercaptan - Names and Identifiers
| Name | 2-methyl-1-propanethiol |
| Synonyms | Isobutanethiol iso-Butanethiol 1-Isobutanethiol Isobutylmercaptan isobutyl Mercaptan 1-Mercaptoisobutane 2-methyl-1-propanethio 2-methylpropane-1-thiol 2-methyl-1-propanethiol 1-Propanethiol,2-methyl- 2-methyl-1-propylmercaptan |
| CAS | 513-44-0 |
| EINECS | 208-162-6 |
| InChI | InChI=1/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
Isobutylmercaptan - Physico-chemical Properties
| Molecular Formula | C4H10S |
| Molar Mass | 90.19 |
| Density | 0.831g/mLat 25°C(lit.) |
| Melting Point | -145°C |
| Boling Point | 87-89°C(lit.) |
| Flash Point | 15°F |
| JECFA Number | 512 |
| Solubility | H2O: slightly soluble |
| Vapor Presure | 124 mm Hg ( 37.8 °C) |
| Vapor Density | 3.1 (vs air) |
| Appearance | liquid |
| Color | Colorless to Light yellow |
| Merck | 14,5147 |
| BRN | 1730890 |
| pKa | 10.41±0.10(Predicted) |
| Refractive Index | n20/D 1.4385(lit.) |
| Physical and Chemical Properties | Colorless fluid liquid. Melting Point -79 ℃, boiling point 88 ℃, relative density 0.8357(20/4 ℃), refractive index 1.4386. Flash point -9 ° C, soluble in alcohol, ether, ethyl acetate and hydrogen sulfide solution, water-soluble, benzene. There is a strong odor of skunks. |
Isobutylmercaptan - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| 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. |
| UN IDs | UN 2347 3/PG 2 |
| WGK Germany | 3 |
| RTECS | TZ7630000 |
| FLUKA BRAND F CODES | 13 |
| HS Code | 29309090 |
| Hazard Class | 3.1 |
| Packing Group | II |
Isobutylmercaptan - Reference Information
| FEMA | 3874 | 2-METHYL-1-PROPANETHIOL |
| olfactory threshold (Odor Threshold) | 0.0000068ppm |
| 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 3000~10000. |
| use | analytical reagent. |
| production method | is produced from bromoisobutane through the following steps. Thiourea and bromoisobutane use methanol as solvent, reflux reaction for 4-5h, add lye after methanol recovery and reflux for 4h, add dilute acid to acidic, then isobutanol is steamed out until it is no longer steamed. After the water layer is separated, the oil layer is dried with anhydrous magnesium sulfate, the desiccant is separated, fractionated, and the 85-86 ℃ fraction is collected as the finished product. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | oral-rat LD50: 7168 mg/kg |
| stimulation data | eye-rabbit 84 mg moderate |
| Explosive hazard characteristics | Mix with air to form an explosive mixture; |
| flammability hazard characteristics | flammability; Combustion emits toxic sulfur dioxide gas; Combustible toxic sulfide-containing gas when exposed to water |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation with oxidants and acids |
| fire extinguishing agent | dry powder, carbon dioxide, 1211, sand |
Last Update：2024-04-10 22:29:15
Supplier List
Spot supply
Product Name: 2-methyl-1-propanethiol Request for quotationCAS: 513-44-0
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Product Name: 2-methyl-1-propanethiol Request for quotation
CAS: 513-44-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 513-44-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Spot supply
Product Name: 2-methyl-1-propanethiol Request for quotationCAS: 513-44-0
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Product Name: 2-methyl-1-propanethiol Request for quotation
CAS: 513-44-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 513-44-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
View History