Basic information
- Standard SMILES
O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
FUSRXDHHILMBIG-UHFFFAOYSA-J- Molecular formula
- C20H10N2Na4O13S4
- Average molar mass
- 706.5 g/mol
- Monoisotopic mass
- 705.8656495
Overview
See also: EEC SERIAL No. E126 (annotation moved to); Ponceau 6R (annotation moved to).
Names & identifiers
- Preferred name
- 1,3,6-naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, tetrasodium salt
- IUPAC
- tetrasodium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3,6-trisulfonate
- English name
- PONCEAU 6R
- Molecular formula
- C20H10N2Na4O13S4
- Molecular weight
- 706.52
Names & synonyms
C.I. Acid Red 411,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, tetrasodium salt1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, tetrasodium saltRefChem:412769Acid red 415850-44-285283-68-7Neklacid Red 6RScarlet 6RPonceau 6RAtetrasodium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3,6-trisulfonatePonceau 6RPA
Show more names
e126l-red5acidred41c.i.16290PONCEAU 6Rponceau6raponceau6rpac.i.foodred8ponceaured6rFood Ponceau
Ponceau Red 6RAcilan Ponceau 6REurocert Ponceau 6RC.I. Food Red 8L-Red 5Hispacid Brilliant ScarletPonceau 6R Specially PureCerven kysela 41 [Czech]
Database identifiers
- CAS
5850-44-2、85283-68-7- PubChem CID
- 22112
- DTXSID
DTXSID001021376- EC Number
- 227-454-4、286-597-0
Properties
Computed structural properties
- Topological polar surface area
- 307 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 2
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,320
Experimental & physicochemical properties
CosmeticsCosmetic colorant
Physicochemical properties
- Colour Index
- 16290 · 16290
- Cosmetics Ingredients Functions
- COLORANT
- LogP
- 0.543 · 0.543 (est)
- CAS DataBase Reference
- 5850 · 5850-44-2
- Safety Statements
- 22 · 22-24/25
- RTECS
- 4125500 · QK4125500
Safety & regulation
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, tetrasodium salt
Other Safety InformationIMAP assessments - 1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- QK4125500
- safety_code
- 22-24/25
Chemistry & industry
Uses & manufacturing
Use Classification
Food Additives -> COLOUR -> JECFA Functional Classes
Cosmetics -> Cosmetic colorant
Applications
DescriptionCI 16290 is classed chemically as a monoazo colour.
Preparation methods
Preparation4-Aminonaphthalene-1-sulfonic acid diazo, and 7-Hydroxynaphthalene-1,3,6-trisulfonic acid coupling.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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