C.I. Pigment Blue 63
Basic information
- CAS
16521-38-3- Standard SMILES
O=C1C(c2[nH]c3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21.[Al+3]- InChIKey
KHLVKKOJDHCJMG-HLBFIJABSA-L- Molecular formula
- C16H10AlN2O8S2+3
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 448.969396
Overview
C.I. Pigment Blue 63 is a member of hydroxyindoles.
Names & identifiers
- Preferred name
- C.I. Pigment Blue 63
- IUPAC
- aluminum 2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid
- English name
- Food Blue 1:1
- Molecular formula
- C16H8N2O8S2.2Na
- Molecular weight
- 466.357
Names & synonyms
16521-38-3RefChem:572495DTXSID6044224C.I. Food Blue 1-aluminum lake1342-11-6Certolake indigo carmineIndigotine-aluminum lakealuminum;2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acidC.I. Food Blue 1:1Indigo carmine-aluminum lakeJapan Blue 2 Aluminum lakeAcid Blue 74-aluminum lake
Show more names
Blue 1 LakeAO2Blue 2 LakeC.I. 73015:1Food Blue 1:1Pigment Blue 63FD&C BLUE 2 LAKEC.I. Pigment Blue 63
Japan Food Blue No. 2 aluminum lakeC.I. 73015 Aluminum lakeC.I. 73015-Aluminum lakeFood Blue No. 2-aluminum lakeC.I. Acid Blue 74-aluminum lakeEINECS 240-589-3Indigo disulfonic acid, aluminum saltFD&C Blue No. 2-aluminum lake
Database identifiers
- CAS
16521-38-3- PubChem CID
- 61842
- ChEBI
CHEBI:172686- EC Number
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 3
- Complexity
- 904
Experimental & physicochemical properties
Food Additives
Devices -> FDA Regulatory Status of Color Additives
COLOR OR COLORING ADJUNCT -> FDA Substance added to food
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionOther Solid
Physicochemical properties
- Density
- 1.603 · 1.603[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Cosmetics Ingredients Functions
- HAIR DYEING
- LogP
- -3.57 · -3.57
- Substances Added to Food (formerly EAFUS)
- 2 · FD&C BLUE NO. 2, ALUMINUM LAKE
- EWG's Food Scores
- 1 · 1-4
- EPA Substance Registry System
- 63 · C.I. Pigment Blue 63 (16521-38-3)
- TSCA
- TSCA listed
- REACH Registrations
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (159 of 159) of all reports.
Not Classified
Aggregated GHS information provided per 159 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: C.I. Pigment Blue 63
C.I. Pigment Blue 63 is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of C.I. Pigment Blue 63 are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Aluminium, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid complex (EC: 240-589-3)
C.I. Pigment Blue 63: 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 CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 814,000 lb
Consumer UsesPigment
General Manufacturing InformationC.I. Pigment Blue 63: ACTIVE
Applications
UsesFood Blue 1:1 is used as edible blue pigment. Used alone or in combination in powdered foods, oil products, and sugar-coated cakes. Its applications are limited because aluminum lakes become soluble under acidic and alkaline conditions. It is also used for coloring printing inks on food packaging materials, toys, and tableware.
Preparation methods
Preparationwith strong sulfuric acid or low concentration fuming sulfuric acid sulphonated 3H-indol-3-one,2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-, and then into aluminum salt deposit color.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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