39133-31-8
| Name | 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester |
| CAS | 39133-31-8 |
| EINECS(EC#) | 254-309-2 |
| Molecular Formula | C22H29NO5 |
| MDL Number | MFCD00133873 |
| Molecular Weight | 387.47 |
| MOL File | 39133-31-8.mol |
Chemical Properties
| Melting point | 78-80°C |
| Boiling point | 513.42°C (rough estimate) |
| density | 1.1998 (rough estimate) |
| refractive index | 1.5614 (estimate) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly) |
| form | neat |
| pka | 7.29±0.50(Predicted) |
| color | White to Off-White |
| Water Solubility | 10g/L |
| Merck | 14,9699 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) veterinary |
| InChI | 1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3 |
| InChIKey | LORDFXWUHHSAQU-UHFFFAOYSA-N |
| SMILES | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2 |
| CAS DataBase Reference | 39133-31-8(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H312-H302-H332-H413 |
| Precautionary statements | P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312 |
| WGK Germany | 3 |
| HS Code | 2922.19.0900 |
| REACH Registrations | Active |
| Storage Class | 11 - Combustible Solids |