CAS Number3734-33-6
Synonymsdenatonium benzoate; benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium,benzoate; N-Benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethanaminium benzoate; Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1); EINECS 223-095-2; N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate; Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl- benzoate (1:1); Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate; Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate; Benzyldiethyl[(2,6-dimethylphenylcarbamoyl)methyl]ammonium Benzoate; MFCD00031578; Denatonium (benzoate)
Molecular FormulaC21H29N2O · C7H5O2
Molecular Weight446.58
Purity≥98%
Melting Point164-168 °C (lit.)
Appearancepowder
EINECS223-095-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3734-33-6 |
| Catalog No. | 2A-9007525 |
| Chinese Name | 苯甲地那铵 |
| Synonyms | denatonium benzoate; benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium,benzoate; N-Benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethanaminium benzoate; Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1); EINECS 223-095-2; N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate; Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl- benzoate (1:1); Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate; Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate; Benzyldiethyl[(2,6-dimethylphenylcarbamoyl)methyl]ammonium Benzoate; MFCD00031578; Denatonium (benzoate) |
| Molecular Formula | C21H29N2O · C7H5O2 |
| Molecular Weight | 446.58 |
| Purity | ≥98 |
| Melting Point | 164-168 °C (lit.) |
| Appearance | powder |
| Water Solubility | methanol: 50 mg/mL, clear, colorless |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | Denatonium is the most bitter compound known and is commonly used as an aversive (bitter agent) to prevent inappropriate ingestion, in denatured alcohol, antifreeze, nail biting prevention, respirator |
| EINECS | 223-095-2 |
| HTC | 29242995 |
| PubChem ID | 57654112 |
| MDL Number | MFCD00031578 |
| SMILES | [O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3 |
| 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) |
| InChI Key | VWTINHYPRWEBQY-UHFFFAOYSA-N |
| Beilstein/REAXYS | 8179408 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Risk Codes | R22;R36/37/38 |
| Safety Description | S26;S36 |
| MSDS | msds/7525_1_3734_33_6.pdf |
| Bioactivity | Denatonium is the most bitter chemical compound known,used as aversive agents (bitterants) to prevent inappropriate ingestion. Denatonium is used in denatured alcohol, antifreeze, nail biting preventions, respirator mask fit-testing, animal repellents, liquid soaps, and shampoos. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others Chemical & Physical Properties Melting Point 164-168 °C(lit.) Molecular Formula C28H34N2O3 Molecular Weight 446.581 Exact Mass 446.256958 PSA 69.23000 LogP 4.42180 InChIKey VWTINHYPRWEBQY-UHFFFAOYSA-N SMILES CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1 Stability Stable. Incompatible with strong oxidizing agents. Water Solubility methanol: 50 mg/mL, clear, colorless |
| Use of | Denatonium is the most bitter chemical compound known,used as aversive agents (bitterants) to prevent inappropriate ingestion. Denatonium is used in denatured alcohol, antifreeze, nail biting preventions, respirator mask fit-testing, animal repellents, liquid soaps, and shampoos. Properties Articles37 Name Denatonium benzoate Synonym More Synonyms denatonium benzoate Biological Activity Description Denatonium is the most bitter chemical compound known,used as aversive agents (bitterants) to prevent inappropriate ingestion. Denatonium is used in denatured alcohol, antifreeze, nail biting preventions, respirator mask fit-testing, animal repellents, liquid soaps, and shampoos. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others Chemical & Physical Properties Molecular Formula C28H34N2O3 Exact Mass 446.256958 PSA 69.23000 LogP 4.42180 InChIKey VWTINHYPRWEBQY-UHFFFAOYSA-N Stability Stable. Incompatible with strong oxidizing agents. |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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