Karminsure

CI 75470 · E120 · CARMINE RED · coccinic acid · CARMINE ALUMINUM LAKE · Carminic · C.I.Naturalred4 · NSC 326224

https://huagongshe.com/de/chemical/10255083

Identifikatoren & physikalische Daten

CAS No.	1260-17-9
Summenformel	C22H20O13
Durchschnittliche Molmasse	492,4 g/mol
Monoisotopische Masse	492,09039069 g/mol
SMILES	Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O
InChIKey	DGQLVPJVXFOQEV-JNVSTXMASA-N
PubChem CID	10255083
ChEMBL	CHEMBL263094
ChEBI	CHEBI:78310
EC No.	215-023-3
DTXSID	DTXSID9022817
Lokaler Name	Karminsure

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	243
H-Brücken-Donoren	9
H-Brücken-Akzeptoren	13
Frei drehbare Bindungen	3
Schwere Atome	35
Formalladung	0
Komplexität	864
pH	pH = 4.8 (yellow)pH = 6.2 (violet)1.6 (10g/l, H2O, 20℃)
Color/Form	Red monoclinic prisms from aqueous methanolDark, purplish-brown mass or bright-red powderDeep red color in wateryellow to violet in acid solutions
Löslichkeit	less than 1 mg/mL at 70 °F (NTP, 1992)Soluble in alcohol, concentrated sulfuric acidslightly soluble in etherpractically insoluble in petroleum ether, benzene, chloroformIn water, 1.30 g/L (1.30X10+3 mg/L) at 25 °C30g/l1.298g/L(room temperature)
Schmelzpunkt	Decomposes at 277 °F (NTP, 1992)136 °C (decomposes)No distinct melting pointdarkens at 120 °C
Optical Rotation	Specific optical rotation (water): +51.6 deg at 15 °C/654 angstroms
Physical Description	Carminic acid appears as dark purplish-brown mass or bright red or dark red powder. Darkens at 248 °F. Deep red color in water. Yellow to violet in acidic aqueous solutions. (NTP, 1992)Red to dark red, friable, solid or powder. Cochineal extract is generally a dark red liquid but can also be dried as a powder.Dark purplish-brown or bright red solid[Hawley] Deep violet fine crystals[MSDSonline]
Dissociation Constants	pKa1 = 2.81pKa2 = 5.43pKa3 = 8.10
Collision Cross Section	217.8 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9022817]208.9 Å² [M-H]- [CCS Type: DTIonization: ESI-209.1 Å² [M+H]+ [CCS Type: DT
Other Experimental Properties	Bright-red, light pieces, easily reduced to powderpractically insoluble in cold water or dil acidpartly soluble in hot watersoluble in borax, alkali hydroxides and alkali carbonates giving deep red solutions /Aluminum calcium lake/
Siedepunkt	506.2°C (rough estimate)
Dichte	1.4504 (rough estimate)
Brechungsindex	1.6000 (estimate)
Flammpunkt	12℃
Lagerbedingungen	room temp
Aggregatzustand	Crystalline Powder
pKa (Säurekonstante)	1.62±0.20(Predicted)
Farbe	Red to dark red
Geruch	Odorless
Merck	14,1843
BRN	71651
Hauptanwendungen	diagnostic assay manufacturinghematologyhistology
InChIKey	DGQLVPJVXFOQEV-JNVSTXMASA-N
SMILES	Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12
LogP (Verteilungskoeffizient)	1.532 (est)
CAS Datenbank	1260-17-9
EPA chemische Informationen	C.I. Natural Red 4 (1260-17-9)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 89 of 90 reports by companies.There is 1 notification provided by 1 of 90 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: 2-Anthracenecarboxylic acid, 7-.beta.-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-Carminic acid: Does not have an individual approval but may be used under an appropriate group standard
Brandgefahren	Flash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Gefahrenübersicht	Carminic acid is the active colorCarmine is the aluminum lake of carminic acidCarminic acid is derived from the insect Coccus cacti[HSDB] See Carmine and Cochineal.
FDA-Anforderungen	The Food and Drug Administration (FDA) is revising its requirements for cochineal extract and carmine by requiring their declaration by name on the label of all food and cosmetic products that contain these color additives. This final rule responds to reports of severe allergic reactions, including anaphylaxis, to cochineal extract- containing food and carmine-containing food and cosmetics and will allow consumers who are allergic to these color additives to identify and thus avoid products that contain these color additives. This action also responds to a citizen petition submitted by the Center for Science in the Public Interest (CSPI).
Reaktive Gruppe	Acids, Carboxylic

Anwendungen & Verwendung

History

CI Natural Red 4(CI 75470), is a red dye occurring as a glycoside in the body of the cochineal insect Dactylopius coccus of the order Homoptera, family Coccidae. This insect is native to Central and South America. The Aztecs had extracted the dye from the insect centuries before the coming of the Spaniards. For breeding purposes, the insects were collected in the autumn and carefully protected during the winter months. Cochineal was harvested after three months, and then the bugs were killed by immersion in hot water, by placing in hot ovens, or by exposure to the hot sun. The latter method produced the highest quality dye. At present, Peru and the Canary Islands are the main source of the dye. Until the advent of synthetic dyes, the principal use for carminic acid was for dyeing tin-mordanted wool or silk. Its aluminum lake, carmine, finds use in the coloring of foods.

Verwenden

Carminic acid (C.I. 75470) For staining nuclei in histological sections. Used to prepare staining solutions. CAS 1260-17-9, pH 1.6 (10g/l, HO, 20°C).