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7-Hexopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid

HCID 14950
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1219145-87-5
Standard SMILES
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O
InChIKey
DGQLVPJVXFOQEV-UHFFFAOYSA-N
Molecular formula
C22H20O13
Average molar mass
492.4 g/mol
Monoisotopic mass
492.09039069

Overview

Red food colouring The source of this color is a picture of a "deep carmine pink" flower at the following website:; The source of this color is a watercolor color swatch called light carmine displayed at the following website:. Carmine red belongs to the family of Anthraquinone Glycosides. These are organic compounds containing an anthraquinone moiety glycosidically bound to a carbohydrate moiety.

Names & identifiers

Preferred name
7-Hexopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid
IUPAC
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid

Names & synonyms

DTXSID208596131219145-87-57-Hexopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acidRefChem:1074432DTXCID00209218Cochineal (dye)1343-78-83,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acidCarmine RedC22H20O13CARMINATE BORAXCARMINE (ALUM LAKE)
Show more names
C ochinealNSC326224CARMINE paraSCHEMBL341505SCHEMBL29728623SCHEMBL31079636FEMA 2330MSK2469

Database identifiers

CAS
1219145-87-5、1260-17-9、1343-78-8
PubChem CID
14950
DTXSID
DTXSID20859613
EC Number
215-680-6

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
243 Ų
Hydrogen bond donors
9
Hydrogen bond acceptors
13
Rotatable bonds
3
Heavy atoms
35
Formal charge
0
Complexity
864

Experimental & physicochemical properties

Solubility1.3 mg/mL at 25 °C
Melting Point136 °C
Physical DescriptionSolid

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (96 of 96) of all reports.

Not Classified

Aggregated GHS information provided per 96 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCochineal (dye): 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

Toxicology

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing InformationCochineal (dye): ACTIVE

Related reactions

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Compound notes

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