A5352012
3-Methyl-1-butanethiol , 97% , 541-31-1
Synonym(s):
Isoamyl mercaptan
CAS NO.：541-31-1
Empirical Formula: C5H12S
Molecular Weight: 104.21
MDL number: MFCD00004899
EINECS: 208-774-3
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -133.51°C |
| Boiling point: | 120 °C |
| Density | 0.835 g/mL at 25 °C(lit.) |
| vapor pressure | 41.4 mm Hg ( 37.7 °C) |
| FEMA | 3858 | 3-METHYLBUTANETHIOL |
| refractive index | n |
| Flash point: | 65 °F |
| storage temp. | Flammables area |
| solubility | soluble in Chloroform |
| pka | 10.41±0.10(Predicted) |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| Odor | at 0.10 % in propylene glycol. sulfurous onion green onion garlic |
| Odor Type | sulfurous |
| Odor Threshold | 0.00000077ppm |
| biological source | synthetic |
| Sensitive | Air Sensitive |
| JECFA Number | 513 |
| BRN | 635659 |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey | GIJGXNFNUUFEGH-UHFFFAOYSA-N |
| SMILES | CC(C)CCS |
| LogP | 2.67 |
| CAS DataBase Reference | 541-31-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Butanethiol, 3-methyl-(541-31-1) |
| EPA Substance Registry System | 1-Butanethiol, 3-methyl- (541-31-1) |
Description and Uses
3-Methyl-1-butanethiol, is a versatile organic building block in the synthesis of sulfur containnig pharmaceutical compounds. It is used in the synthesis of some poly(alkylene glycol dithiophosphates) with functional groups in the S-alkyl radical, possessing long-lasting anthelminthic and antibacterial properties. It is also shown to be one of the flavor components from beef, pork, and chicken
Safety
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H315-H319-H335 |
| Precautionary statements | P210-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | F,Xi,Xn |
| Risk Statements | 11-36/37/38-20/21/22 |
| Safety Statements | 16-26-36-36/37/39 |
| RIDADR | UN 1228 3/PG 2 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29309090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
