Description
Denatonium benzoate (THS-839) is the most bitter chemical compound known,used as aversive agents (bitterants) to prevent inappropriate ingestion. Denatonium benzoate (THS-839) is used in denatured alcohol, antifreeze, nail biting preventions, respirator mask fit-testing, animal repellents, liquid soaps, and shampoos.
Product information
CAS Number: 3734-33-6
Molecular Weight: 446.58
Formula: C28H34N2O3
Chemical Name: benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate
Smiles: CC1C=CC=C(C)C=1NC(=O)C[N+](CC1C=CC=CC=1)(CC)CC.[O-]C(=O)C1C=CC=CC=1
InChiKey: VWTINHYPRWEBQY-UHFFFAOYSA-N
InChi: 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)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Solubility: DMSO : 20 mg/mL (44.78 mM; Need ultrasonic). H2O : 20 mg/mL (44.78 mM; Need ultrasonic).
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
Products are for research use only. Not for human use.
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