Denatonium saccharide

HCID 64772CAS 61724-46-7
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Basic information

Standard SMILES
CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=S1(=O)N=C([O-])c2ccccc21
InChIKey
AOVWCKBXCSVODH-UHFFFAOYSA-N
Molecular formula
C28H33N3O4S
Average molar mass
507.6 g/mol

Names & identifiers

Preferred name
Denatonium saccharide
IUPAC
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olate
English name
Acid violet 68
Molecular formula
C28H33N3O4S
Molecular weight
507.64432

Names & synonyms

Denatonium saccharide90823-38-4DTXSID9034361G2NT7SMW7Mbenzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olateMFCD00214097Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)UNII-G2NT7SMW7M103735-41-7N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium-1,1-dioxide-1,2-benzisothiazol-3(2H)-one; Amerex; Denatonium Saccharinate; Ro-Pel;61724-46-7DENATONIUM SACCHARINATE
Show more names
Violet BLAcid violet 68Neuter Violet BLC.I. Acid Violet 68Youhaoneuter Corinth BL.Acid violet 68 ISO 9001：2015 REACH
SCHEMBL442731SCHEMBL6836990CHEMBL3185224DTXCID7014361DMRHOZBCVOAFHR-UHFFFAOYSA-NTox21_302351DENATONIUM SACCHARIDE [VANDF]AKOS015897402

Database identifiers

CAS
61724-46-7、90823-38-4
PubChem CID
64772
DTXSID
DTXSID9034361
ChEMBL
CHEMBL3185224
UNII
G2NT7SMW7M
EC Number
612-272-3、623-097-7

Properties

Computed structural properties

Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
36

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: C.I. Acid Violet 68

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Uses & manufacturing

Household ProductsInformation on 4 consumer products that contain Benzyldiethyl[(2,6 xylyl carbamoyl) methyl ammonium sacchari in the following categories is provided:
General Manufacturing InformationBenzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1): ACTIVE

Preparation methods

Preparation3-Amino-4-hydroxybenzenesulfonamide diazo, and Naphthalen-2-ol coupling,then 2-Hydroxybenzoic acid chromium complex, so that the formation of chromium complexes.

Upstream & downstream products

Suppliers8 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]

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