denatonium benzoate

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Names

[ CAS No. ]:
3734-33-6

[ Name ]:
denatonium benzoate

[Synonym ]:
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)

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

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
methanol: 50 mg/mL, clear, colorless

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BO6650000
CHEMICAL NAME :
Ammonium, benzyldiethyl((2,6-xylylcarbamoyl)methyl)-, benzoate
CAS REGISTRY NUMBER :
3734-33-6
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C21-H29-N2-O.C7-H5-O2
MOLECULAR WEIGHT :
446.64
WISWESSER LINE NOTATION :
1R C1 BMV1K2&2&1R &OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
584 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB81-139339
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
508 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB81-139339 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1737 No. of Facilities: 989 (estimated) No. of Industries: 5 No. of Occupations: 9 No. of Employees: 10902 (estimated) No. of Female Employees: 7446 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P301 + P312 + P330-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
BO6650000

[ HS Code ]:
29242995

Customs

[ HS Code ]: 2924299090

[ Summary ]:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Related Compounds

  • Denatonium benzoate (NF)
  • Denatonium saccharide
  • Ethyl benzoate
  • Propyl benzoate
  • Cinnamyl benzoate
  • Cyclohexylammonium benzoate