Itaconic acid
- Product NameItaconic acid
- CAS97-65-4
- CBNumberCB8439347
- MFC5H6O4
- MW130.1
- EINECS202-599-6
- MDL NumberMFCD00004260
- MOL File97-65-4.mol
Chemical Properties
| Melting point: | 165-168 °C (lit.) |
| Boiling point: | 268°C |
| Density | 1.573 g/mL at 25 °C (lit.) |
| vapor pressure | 0.0000115 Pa (20 °C) |
| refractive index | 1.4980 (estimate) |
| Flash point: | 268°C |
| storage temp. | Store below +30°C. |
| solubility | 77.49g/l |
| pka | 3.85(at 25℃) |
| form | Crystalline Powder or Crystals |
| Specific Gravity | 1.573 |
| color | White to light beige |
| PH | 3.5(1 mM solution);2.95(10 mM solution);2.43(100 mM solution); |
| Odor | Characteristic Odor |
| Water Solubility | Soluble in water, acetone, methanol, hexane and ethanol. Slightly soluble in benzene, chloroform, carbon disulfide and petroleum ether. |
| Sensitive | Hygroscopic |
| Merck | 14,5242 |
| BRN | 1759501 |
| Henry's Law Constant | 1.3×106 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stability: | Light Sensitive |
| Cosmetics Ingredients Functions | BUFFERING ANTIMICROBIAL SKIN CONDITIONING - EMOLLIENT SKIN CONDITIONING |
| InChI | 1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
| InChIKey | LVHBHZANLOWSRM-UHFFFAOYSA-N |
| SMILES | OC(=O)CC(=C)C(O)=O |
| LogP | -0.301 at 20℃ |
| CAS DataBase Reference | 97-65-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanedioic acid, methylene-(97-65-4) |
| EPA Substance Registry System | Itaconic acid (97-65-4) |
| CAS Number Unlabeled | 97-65-4 |
Safety
| Symbol(GHS) |
 GHS05 |
|||||||||
| Signal word | Danger | |||||||||
| Hazard statements | H318 | |||||||||
| Precautionary statements | P280-P305+P351+P338+P310 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 1 | |||||||||
| Autoignition Temperature | 430 °C | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2917190090 | |||||||||
| Storage Class | 13 - Non Combustible Solids | |||||||||
| Hazard Classifications | Eye Dam. 1 | |||||||||
| Hazardous Substances Data | 97-65-4(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
|