2-Butyne-1,4-diol
- Product Name2-Butyne-1,4-diol
- CAS110-65-6
- CBNumberCB6852816
- MFC4H6O2
- MW86.09
- EINECS203-788-6
- MDL NumberMFCD00002915
- MOL File110-65-6.mol
Chemical Properties
| Melting point: | 54 °C |
| Boiling point: | 238 °C(lit.) |
| Density | 1.2 |
| bulk density | 500kg/m3 |
| vapor pressure | <0.1 mm Hg ( 55 °C) |
| refractive index | 1.4804 |
| Flash point: | 306 °F |
| storage temp. | Store below +30°C. |
| solubility | 3740g/l |
| form | Crystalline Platelets or Flakes |
| pka | 12.72±0.10(Predicted) |
| color | slightly brown |
| PH | 4-7.5 (100g/l, H2O, 23℃) |
| Water Solubility | 3740 g/L (20 ºC) |
| BRN | 1071237 |
| Henry's Law Constant | 2.0×103 mol/(m3Pa) at 25℃, Altschuh et al. (1999) |
| Exposure limits | EU LTEL:0.5 mg/m3 |
| Stability: | Stable. Highly flammable solid. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, strong acids, strong bases. |
| InChI | 1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2 |
| InChIKey | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
| SMILES | OCC#CCO |
| LogP | -0.73 at 25℃ |
| CAS DataBase Reference | 110-65-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butyne-1,4-diol(110-65-6) |
| EPA Substance Registry System | 2-Butyne-1,4-diol (110-65-6) |
Safety
| Symbol(GHS) |
   GHS05,GHS06,GHS08 |
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| Signal word | Danger | |||||||||
| Hazard statements | H301+H311+H331-H314-H372-H370-H317-H402 | |||||||||
| Precautionary statements | P501-P273-P272-P260-P270-P271-P264-P280-P308+P311-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges | |||||||||
| Hazard Codes | T,C | |||||||||
| Risk Statements | 21-23/25-34-43-48/22 | |||||||||
| Safety Statements | 25-26-36/37/39-45-46 | |||||||||
| RIDADR | UN 2716 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | ES0525000 | |||||||||
| F | 23-10 | |||||||||
| Autoignition Temperature | 410 °C | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2905399090 | |||||||||
| Storage Class |
6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
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| Hazard Classifications |
Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Eye Dam. 1 Skin Corr. 1B Skin Sens. 1 STOT RE 2 |
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| Hazardous Substances Data | 110-65-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 100 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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