CAS No 3734-33-6 , benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium Search by region : Germany

Name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
Synonyms: Bitrex; 3734-33-6;benzoate;benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium; BENZYLDIETHYL; Denatonium; Anispray; Gori; Aversion; Lidocaine benzyl benzoate; THS-839;
CAS Registry Number:3734-33-6
Melting Point: 164-168 ºC
Water Solubility: methanol: 50 mg/mL, clear, colorless
Safety Statements: R22;R36/37/38
Hazard Symbols: Xn: Harmful;
HS Code: 29242995
EINECS: 223-095-2
Molecular Weight: 446.58116
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)
Risk Statements: S26;S36
Molecular Formula: C₂₈H₃₄N₂O₃
Molecular Structure:

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References of benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium

Title: Denatonium Benzoate
CAS Registry Number: 3734-33-6
CAS Name: N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate
Synonyms: benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate; lignocaine benzyl benzoate
Trademarks: Bitrex (Macfarlan Smith)
Molecular Formula: C28H34N2O3
Molecular Weight: 446.58
Percent Composition: C 75.31%, H 7.67%, N 6.27%, O 10.75%
Literature References: Prepn: J. E. Hay, US 3080327 (1963 to T. & H. Smith Ltd.); idem, US 3268575 (1966 to Edinburgh Pharm. Ind.). HPLC determn in rapeseed oil: C. E. Damon, B. C. Pettitt, Jr., J. Chromatogr. 195, 243 (1980). Brief review of substance history and uses: H. A. S. Payne, Chem. Ind. (London) 22, 721-723 (1988).
Properties: Crystals from isopropyl alcohol + ethyl acetate, mp 166-170°. Among the most bitter substances known to man. Soluble in water, alcohol; sparingly sol in acetone. Practically insol in ether.
Melting point: mp 166-170°
Use: Pharmaceutic aid (alcohol denaturant; flavor). Added to toxic substances as a deterrent to accidental ingestion. Can replace brucine or quassin as denaturant for ethyl alcohol.