3-Butene-1,2-diol
- Product Name3-Butene-1,2-diol
- CAS497-06-3
- CBNumberCB7412653
- MFC4H8O2
- MW88.11
- EINECS207-835-1
- MDL NumberMFCD00239410
- MOL File497-06-3.mol
Chemical Properties
| Melting point: | 15.1°C (estimate) |
| Boiling point: | 195 °C/733 mmHg (lit.) |
| Density | 1.047 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | Not applicable |
| storage temp. | Amber Vial, -20°C Freezer, Under inert atmosphere |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Oil |
| pka | 13.68±0.20(Predicted) |
| Specific Gravity | 1.047 |
| color | Clear Colorless |
| optical activity | 1.7875°(C=1g/100ml DCM) |
| BRN | 1633578 |
| Henry's Law Constant | 7.8×102 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| InChI | InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2 |
| InChIKey | ITMIAZBRRZANGB-UHFFFAOYSA-N |
| SMILES | C(O)C(O)C=C |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332 | |||||||||
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 36/37/38-20/21/22 | |||||||||
| Safety Statements | 36 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10 | |||||||||
| HS Code | 2905399090 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
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| NFPA 704: |
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