3,4-Diethoxybenzoic acid
- Product Name3,4-Diethoxybenzoic acid
- CAS5409-31-4
- CBNumberCB6472265
- MFC11H14O4
- MW210.23
- EINECS226-478-2
- MDL NumberMFCD00002504
- MOL File5409-31-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 167-169 °C (lit.) |
| Boiling point | 309.75°C (rough estimate) |
| Density | 1.1922 (rough estimate) |
| refractive index | 1.5384 (estimate) |
| storage temp. | Store at room temperature |
| solubility | soluble in Methanol |
| pka | 4.39±0.10(Predicted) |
| form | Amorphous Powder |
| color | White to off-white |
| BRN | 2651892 |
| InChI | 1S/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13) |
| InChIKey | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(cc1OCC)C(O)=O |
| CAS DataBase Reference | 5409-31-4(CAS DataBase Reference) |
| FDA UNII | PQX585EH7W |
| NIST Chemistry Reference | 3,4-Diethoxybenzoic acid(5409-31-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H335-H315-H319 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29189900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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