3-Methyl-2-butanol
- Product Name3-Methyl-2-butanol
- CAS598-75-4
- CBNumberCB5300734
- MFC5H12O
- MW88.15
- EINECS209-950-2
- MDL NumberMFCD00004527
- MOL File598-75-4.mol
Chemical Properties
| Melting point: | -51.44°C (estimate) |
| Boiling point: | 109 to 115 °C; 228 to 239 °F; 382 to 388 K |
| Density | 818 mg cm−3 |
| refractive index | 1.41 |
| FEMA | 3703 | 3-METHYL-2-BUTANOL |
| Flash point: | 34 °C (93 °F; 307 K) |
| storage temp. | Flammables area |
| solubility | 56g/l |
| pka | 15.17±0.20(Predicted) |
| form | liquid |
| color | Colorless |
| Odor | fruity |
| Odor Type | fruity |
| explosive limit | 1.2-10.5%(V) |
| biological source | synthetic |
| Water Solubility | Miscible in Ether, Alcohols. Slightly soluble in water. (2.8g/100mL, 30°C) |
| JECFA Number | 300 |
| Merck | 14,6031 |
| BRN | 1718800 |
| Henry's Law Constant | 5.1×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Exposure limits | NIOSH: IDLH 500 ppm; TWA 100 ppm(360 mg/m3); STEL 125 ppm(450 mg/m3) |
| InChI | 1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 |
| InChIKey | MXLMTQWGSQIYOW-UHFFFAOYSA-N |
| SMILES | CC(C)C(C)O |
| LogP | 1.04 |
| CAS DataBase Reference | 598-75-4(CAS DataBase Reference) |
| EPA Substance Registry System | 2-Butanol, 3-methyl- (598-75-4) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H332-H335-H225 | |||||||||
| Precautionary statements | P501-P240-P261-P210-P233-P243-P241-P242-P271-P280-P370+P378-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 10-20-37-66 | |||||||||
| Safety Statements | 46 | |||||||||
| RIDADR | UN 1105 3/PG 3 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 100.0 ppm; 360.0 mg/m3, STEL: 125.0 ppm; 450.0 mg/m3 | |||||||||
| WGK Germany | 1 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2905199090 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Inhalation Flam. Liq. 3 STOT SE 3 |
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| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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