Carmine - ≥40% , CAS No.1390-65-4

CAS: 1390-65-4 Cat. No.: C305814 EC Number: 215-724-4

GRADE & PURITY ≥40%

Synonyms

DTXSID20859613 | 7-Glucopyranosyl-3,4,5,8-tetrahydroxy-1-methylanthraquinone-2-carboxylic acid | Alum lake of carminic acid | C.I. 75470 | FEMA 2330 | Carmine | FT-0624015 | HMS3346I22 | C. I. 75470 | NSC326224 | NSC-326224 | CARMINE (ALUM LAKE) | 1-Anthr

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

This product is an aluminum-calcium lake of carmine (C22H20O13). Soluble in borax solution, also soluble in alkali metal hydroxides or carbonates to form deep red solution, partially soluble in hot water, almost insoluble in cold water or dilute acid.

Preparation of carminic acid, integral staining, nuclear staining, titration of ammonia solution indicator, microscopic analysis, fluorescence analysis, coloring of dyes and foods, etc.

Specifications

Synonyms

DTXSID20859613 | 7-Glucopyranosyl-3,4,5,8-tetrahydroxy-1-methylanthraquinone-2-carboxylic acid | Alum lake of carminic acid | C.I. 75470 | FEMA 2330 | Carmine | FT-0624015 | HMS3346I22 | C. I. 75470 | NSC326224 | NSC-326224 | CARMINE (ALUM LAKE) | 1-Anthr

Specifications & Purity

≥40%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥40%

Names and Identifiers

Pubchem Sid

488182047

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182047

Canonical Smiles

CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O

IUPAC Name

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

InChIKey

DGQLVPJVXFOQEV-UHFFFAOYSA-N

INCHI

1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)

Isomeric SMILES

CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O

WGK Germany

1

RTECS

FH8891000

Reaxy-Rn

25785866

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25785866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthracenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthracenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenecarboxylic acids
• Alternative Parents: Hydroxyanthraquinones Phenolic glycosides Naphthalenecarboxylic acids Hexoses C-glycosyl compounds Salicylic acid and derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene carboxylic acid - 9,10-anthraquinone - Anthraquinone - Hydroxyanthraquinone - Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Hydroxybenzoic acid - Salicylic acid or derivatives - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monosaccharide - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Molecular Weight: 492.400 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 492.09 Da
• Monoisotopic Mass: 492.09 Da
• Topological Polar Surface Area: 243.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 864.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1