Butylmalonic acid
- Product NameButylmalonic acid
- CAS534-59-8
- CBNumberCB7153145
- MFC7H12O4
- MW160.17
- EINECS208-602-7
- MDL NumberMFCD00002673
- MOL File534-59-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 105-107 °C (lit.) |
| Boiling point | 328.8°C (rough estimate) |
| Density | 1.3681 (rough estimate) |
| refractive index | 1.4344 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pK (5°): 2.96 |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | 438g/L(25 ºC) |
| Merck | 14,1576 |
| InChI | 1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11) |
| InChIKey | MCRZWYDXIGCFKO-UHFFFAOYSA-N |
| SMILES | CCCCC(C(O)=O)C(O)=O |
| CAS DataBase Reference | 534-59-8(CAS DataBase Reference) |
| FDA UNII | 4X9O8XSJ0E |
| NIST Chemistry Reference | Butylmalonic acid(534-59-8) |
| UNSPSC Code | 12162002 |
| NACRES | NA.23 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HS Code | 2917.19.7050 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
