Basic information
- CAS
90823-38-4- Standard SMILES
CC[N+](CC)(CC([O-])=Nc1c(C)cccc1C)Cc1ccccc1.O=C1NS(=O)(=O)c2ccccc21- InChIKey
AOVWCKBXCSVODH-UHFFFAOYSA-N- Molecular formula
- C28H33N3O4S
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.21917772
Names & identifiers
- Preferred name
- C28H33N3O4S
- IUPAC
- 2-[benzyl(diethyl)azaniumyl]-N-(2,6-dimethylphenyl)ethanimidate;1,1-dioxo-1,2-benzothiazol-3-one
- English name
- Denatonium saccharide
- Molecular formula
- C28H33N3O4S
- Molecular weight
- 507.65
Names & synonyms
C28H33N3O4SF5787941,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate;[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-(phenylmethyl)azaniumDENATONIUM SACHARIDEbenzyldiethylDenatonium SachharideDenatoniumbenzoatesaccharideN-Benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethanaminium 3-Oxo-3H-1,2-benzothiazol-2-ide 1,1-DioxideRO-PELbitlax-S.Ku Jing-Ssuper bilex
Database identifiers
- CAS
90823-38-4- PubChem CID
- 175684374
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- DENATURANT
- InChIKey
- AOVWCKBXCSVODH-UHFFFAOYSA-N
- SMILES
- O=S1([N-]C(=O)C2C=CC=CC1=2)=O.[N+](CC)(CC)(CC(=O)NC1C(=CC=CC=1C)C)CC1C=CC=CC=1
- LogP
- 0.085 · 0.085 (est)
- CAS DataBase Reference
- 90823 · 90823-38-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 NT7SMW7M · G2NT7SMW7M
- EPA Substance Registry System
- Denatonium saccharide (90823-38-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2925.29.6000
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- Hazard statements
- H302-H315-H318
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P362+P364-P332+P313-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Applications
UsesDenatonium Saccharide is a bitter taste compound that was used to study taste receptor cells.
Suppliers100 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河北创之源生物科技有限公司13012111162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西晨明生物科技有限公司15529026321 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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