Iden­ti­fi­ca­tion

CAS Number

3734-33-6

Name

Dena­to­ni­um ben­zoate

Syn­onyms

Ben­zen­emethanamini­um, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, ben­zoate Ben­zen­emethanamini­um, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, ben­zoate (1:1) Ben­zoate de N-benzyl-2-[(2,6-diméthylphényl)amino]-N,N-diéthyl-2-oxoéthanaminium Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium ben­zoate dena­to­ni­um ben­zoate N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium ben­zoate N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminiumbenzoat ((2,6-Xylylcarbamoyl)methyl)diethyl ben­zyl ammo­ni­um ben­zoate Ammo­ni­um, benzyldiethyl((2,6-xylylcarbamoyl)methyl)-, ben­zoate Ben­zen­emethanamini­um, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, ben­zoate Ben­zoate de dena­to­ni­um Ben­zoa­to de dena­to­nio Benzyl-[(2,6-dimethylphenylcarbamoyl)methyl]diethylammonium ben­zoate BEN­ZYLDIETHYL((2,6-XYLYL­CAR­BAMOYL)METHYL)AMMO­NI­UM BEN­ZOATE Benzyldiethyl(2,6-xylyl- car­bamoyl- methyl)- ammo­ni­um ben­zoate Dena­tonii ben­zoas dena­to­ni­um­ben­zoate Gori N-(2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)-N,N-diethylbenzeneme- thanamini­um ben­zoate N,N-Diethyl-N-[(2,6-dimethylphenyl- car­bamoyl)- methyl]- ben­zyl- ammo­ni­um ben­zoate

Mol­e­c­u­lar Structure

Structure of Denatonium benzoate CAS 3734-33-6

SMILES

O=C(Nc1c(cccc1C)C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1

Std­InChI

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)

Std­InChIKey

VWT­IN­HYPRWE­BQY-UHF­F­­FAOYSA-N

MDL Number

MFCD00031578

Beil­stein Reg­istry Number

8179408

EINECS

223-095-2

Mol­e­c­u­lar Formula

C21H29N2O.C7H5O2 ;C28H34N2O3

Mol­e­c­u­lar Weight

446.59

Prop­er­ties

Appear­ance

White pow­der

Melt­ing Point

163-170℃

Safe­ty Data

Sym­bol

exclamation-mark-jpgGHS07

Sig­nal Word

Warn­ing

Haz­ard Statements

H315-H319-H335

Pre­cau­tion­ary Statements

P261-P305+P351+P338

Haz­ard Codes (Europe)

Xn

Risk State­ments (Europe)

22-36/37/38

Safe­ty State­ments (Europe)

26-36

WGK Germany

2 

RTECS

BO6650000

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Dena­to­ni­um ben­zoate CAS 3734-33-6

Stan­dard

USP34

Iden­ti­fi­ca­tion Methods

IR, HPLC

Assay

99.5-101.0%

PH

6.5-7.5

Loss on Drying

1.0% max

Residue on Ignition

0.1% max

Chlo­ride

0.2% max

Pack­age

Paste­board bar­rel

Known Use

The prod­uct is the world’s bit­ter­est known sub­stance, added as lit­tle as thir­ty parts to one mil­lion parts of a liq­uid to make it too bit­ter to be tol­er­at­ed by most humans, which can effec­tive­ly pre­vent children’s swal­low. Because of its bit­ter­ness, it is com­mon­ly added to house­hold items and out­door prod­ucts to pre­vent acci­den­tal poi­son­ings.

HS Number

2924299800

Wat­­son-Int Link

http://​wat​son​-int​.com/​D​e​n​a​t​o​n​i​u​m​-​B​e​n​z​o​a​t​e​_​C​A​S​_​3​7​3​4​-​3​3​-​6​.​h​tml