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Denatonium Benzoate
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Denatonium Benzoate
| Product Code | D5765-5G |
|---|---|
| Unit of Measure | 1X5GR |
| CAS Number | 3734-33-6 |
| MDL NUMBER | MFCD00031578 |
| EMPIRICAL FORMULA | C28H34N2O3 |
| Molecular Weight | 446.58 |
| Synonyms | N,N-Diethyl-N-[(2,6-DimethylphenylâÂCarbamoyl)ÂÂMethyl]ÂÂBenzylâÂAmmonium Benzoate; Benzyldiethyl(2,6-XylylâÂCarbamoylâÂMethyl)ÂÂAmmonium Benzoate; Ths 839 |
| Brand | SIGMA-ALDRICH |
Properties
| Property | Value |
|---|---|
| eCl@ss | 32160000 |
| Shipped on ICE | STD |
| UNSPSC Code | 12352100 |
| ADRSuff | 1 |
| CAS Number | 3734-33-6 |
| EINECSNo | 223-095-2 |
| Flash Point | 100 C - closed cup |
| GHS Categories | Acute Tox. 4,Aquatic Chronic 4 |
| GHS Hazard Codes | H302-H413 |
| GHS Hazard Statements | Harmful if swallowed. May cause long lasting harmful effects to aquatic life. |
| GHS Pictograms | GHS07 |
| GHS Precaution Codes | P301 + P312 + P330 |
| GHS Precaution Statements | Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
| GHS Signal Words | Warning |
| Hazard Symbols | Xn |
| Hazard Symbols Descriptions | Harmful |
| MDL Number | MFCD00031578 |
| Melting Point | 164-168 C (lit.) |
| Molecular Formula | C28H34N2O3 |
| Molecular Weight | 446.58 |
| Net Weight | 5 |
| R-Phrases | 22-36/37/38 |
| RTECSNo | BO6650000 |
| S-Phrases | 26-36 |
| Synonyms | N,N-Diethyl-N-[(2,6-dimethylphenylÂÂcarbamoyl)ÂÂmethyl]ÂÂbenzylÂÂammonium benzoate; Benzyldiethyl(2,6-xylylÂÂcarbamoylÂÂmethyl)ÂÂammonium benzoate; THS 839 |
| Tariff Number | 29242970990 |
| MSDS Link | https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=DElanguage=ENproductNumber=D5765brand=ALDRICH |
| mp | 164-168 C (lit.) |
| SMILES string | [O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3 |
| Assay | >=98% |
| InChI key | VWTINHYPRWEBQY-UHFFFAOYSA-N |
| form | powder |
| InChI | 1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9) |
| Quality Level | 100 |
Description
Denatonium Benzoate