3-Methyl-1-butanethiol
Synonym(s):Isoamyl mercaptan
- CAS NO.：541-31-1
- Empirical Formula: C5H12S
- Molecular Weight: 104.21
- MDL number: MFCD00004899
- EINECS: 208-774-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 02:45:21
What is 3-Methyl-1-butanethiol?
Chemical properties
clear colorless to slightly yellow liquid
Occurrence
Reported present in beer
The Uses of 3-Methyl-1-butanethiol
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
What are the applications of Application
3-Methyl-1-butanethiol is used in the synthesis of monolayer-capped gold nanoparticles
Definition
ChEBI: Isopentyl mercaptan is an alkanethiol.
Aroma threshold values
Detection: 0.002 ppb
Properties of 3-Methyl-1-butanethiol
| 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 Threshold | 0.00000077ppm |
| Sensitive | Air Sensitive |
| JECFA Number | 513 |
| BRN | 635659 |
| 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) |
Safety information for 3-Methyl-1-butanethiol
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Methyl-1-butanethiol
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