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D5765

Sigma-Aldrich

Denatonium benzoate

≥98%

Sinônimo(s):

N,N-Diethyl-N-[(2,6-dimethylphenyl­carbamoyl)­methyl]­benzyl­ammonium benzoate, Benzyldiethyl(2,6-xylyl­carbamoyl­methyl)­ammonium benzoate, THS 839

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About This Item

Fórmula linear:
C21H29N2O · C7H5O2
Número CAS:
3734-33-6
Peso molecular:
446.58
Beilstein:
8179408
Número CE:
223-095-2
Número MDL:
MFCD00031578
Código UNSPSC:
12352100
ID de substância PubChem:
57654112
NACRES:
NA.22

Nível de qualidade

100

Ensaio

≥98%

forma

powder

pf

164-168 °C (lit.)

cadeia de caracteres 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)

chave InChI

VWTINHYPRWEBQY-UHFFFAOYSA-N

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Descrição geral

Denatonium benzoate (DB) is an ionized compound made up of a negatively charged benzoic acid and quaternary ammonium cation (denatonium). It is used as an alcohol denaturant and flavor in pharmaceuticals. Additionally, used in products like soap, animal repellents, antifreeze.

Aplicação

Denatonium benzoate is used:

  • To prepare anti-gnawing bio-polymer composites using zinc stearate (ZnSt) and capsicum oleoresin (CO) impregnated in silica (SiCO) and polybutylene succinate(PBS).

Pictogramas

Skull and crossbonesCorrosion
GHS06,GHS05

Palavra indicadora

Danger

Frases de perigo

H302,H318,H330

Classificações de perigo

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1

Código de classe de armazenamento

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

212.0 °F - closed cup

Ponto de fulgor (°C)

100 °C - closed cup

Equipamento de proteção individual

dust mask type N95 (US), Eyeshields, Gloves

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Certificados de análise (COA)

Lot/Batch Number
MKCP6065
MKCN4024
MKCM4855
MKCL4602
MKCH5854

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W Klein-Schwartz
Veterinary and human toxicology, 33(6), 545-547 (1991-12-01)
The efficacy and toxicity studies on denatonium benzoate are limited and may be subject to varying interpretations when viewed in the context of a potential poisoning situation. Efficacy studies to date in children have shown that in a controlled environment
Anne Brockhoff et al.
Journal of agricultural and food chemistry, 55(15), 6236-6243 (2007-06-28)
Sesquiterpene lactones are a major class of natural bitter compounds occurring in vegetables and culinary herbs as well as in aromatic and medicinal plants, where they often represent the main gustatory and pharmacologically active component. Investigations on sesquiterpene lactones have
John Skelhorn et al.
Current biology : CB, 17(17), 1479-1483 (2007-08-25)
Toxic prey advertise their unprofitability to predators via conspicuous aposematic coloration [1]. It is widely accepted that avoidance learning by naive predators is fundamental in generating selection for aposematism [2, 3] and mimicry [4, 5] (where species share the same
S R Hansen et al.
Veterinary and human toxicology, 35(3), 234-236 (1993-06-01)
When ingested at 10 ppm by human beings, denatonium benzoate has an extremely bitter, unpleasant taste. The addition of denatonium benzoate to liquid dish detergents and orange juice reduces the amount ingested by children. The toxicity of denatonium benzoate is
Sami Damak et al.
Chemical senses, 31(3), 253-264 (2006-01-27)
Trpm5 is a calcium-activated cation channel expressed selectively in taste receptor cells. A previous study reported that mice with an internal deletion of Trpm5, lacking exons 15-19 encoding transmembrane segments 1-5, showed no taste-mediated responses to bitter, sweet, and umami
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