Isobutylmercaptan
- Product NameIsobutylmercaptan
- CAS513-44-0
- CBNumberCB5358715
- MFC4H10S
- MW90.19
- EINECS208-162-6
- MDL NumberMFCD00004882
- MOL File513-44-0.mol
Chemical Properties
| Melting point: | -145°C |
| Boiling point: | 88 °C |
| Density | 0.83 |
| vapor density | 3.1 (vs air) |
| vapor pressure | 124 mm Hg ( 37.8 °C) |
| FEMA | 3874 | 2-METHYL-1-PROPANETHIOL |
| refractive index | n 20/D 1.4385 (lit.) |
| Flash point: | -10 °C |
| solubility | H2O: slightly soluble |
| pka | 10.41±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow |
| Odor | at 0.10 % in propylene glycol. cooked vegetable mustard |
| Odor Type | sulfurous |
| biological source | synthetic |
| Odor Threshold | 0.0000068ppm |
| Water Solubility | H2O: slightly soluble alcohol: very soluble diethyl ether: very soluble |
| JECFA Number | 512 |
| Merck | 14,5147 |
| BRN | 1730890 |
| Henry's Law Constant | 1.0×10-3 mol/(m3Pa) at 25℃, Zin et al. (2016) |
| InChI | 1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| InChIKey | BDFAOUQQXJIZDG-UHFFFAOYSA-N |
| SMILES | CC(C)CS |
| LogP | 2.18 |
| CAS DataBase Reference | 513-44-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Propanethiol, 2-methyl-(513-44-0) |
| EPA Substance Registry System | 1-Propanethiol, 2-methyl- (513-44-0) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H315+H320-H335-H225 | |||||||||
| Precautionary statements | P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xi | |||||||||
| Risk Statements | 11-36/37/38 | |||||||||
| Safety Statements | 16-26-36 | |||||||||
| RIDADR | UN 2347 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | TZ7630000 | |||||||||
| F | 13 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
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| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
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