CAS No.1260-17-9,Carminic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1260-17-9
Name:	Carminic Acid
Article Data:	4

Formula:	C₂₂H₂₀O₁₃
Molecular Weight:	492.393
Synonyms:	2-Anthroicacid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-(7CI);Carminic acid (6CI,8CI);C.I. 75470;C.I. Natural Red 4;Carmine 5297;Cochineal Red PWD;E 120;E 120 (dye);NSC 326224;Natural Red 4;San Red 1;San-Ei Gen San Red 1;Sun Red 1;Sun Red No. 1;
EINECS:	215-023-3
Density:	1.87 g/cm³
Melting Point:	136oC
Boiling Point:	907.601 °C at 760 mmHg
Flash Point:	316.113 °C
Solubility:	1.298g/L(room temperature)
Appearance:	red to dark red crystalline powder
Safety:	22-24/25
PSA:	242.51000
LogP:	-1.19410

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Specification

The CAS register number of Carminic acid is 1260-17-9. It also can be called as 2-Anthracenecarboxylic acid, 7-beta-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo- and the IUPAC name about this chemical is 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid. The molecular formula about this chemical is C₂₂H₂₀O₁₃ and the molecular weight is 492.39. It belongs to the following product categories, such as Di-Terpenoids; Anthraquinones; Biochemistry; Glucose; Glycosides; Hydroxyanthraquinones; Sugars and so on. This chemical is a coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about Carminic acid are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 242.51Å²; (13)Index of Refraction: 1.792; (14)Molar Refractivity: 111.805 cm³; (15)Molar Volume: 263.369 cm³; (16)Polarizability: 44.323x10^-24cm³; (17)Surface Tension: 125.676 dyne/cm; (18)Flash Point: 316.113 °C; (19)Enthalpy of Vaporization: 138.237 kJ/mol; (20)Boiling Point: 907.601 °C at 760 mmHg.

Preparation: this chemical can be prepared by 3,5,6,8-tetraacetoxy-1-methyl-9,10-dioxo-7-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yl)-9,10-dihydro-anthracene-2-carboxylic acid. This reaction will need reagent ethanol. HCl at heating. The reaction time is 1 hour(s).

Uses of Carminic acid: it can be used to produce 3,5,8-trihydroxy-1-methyl-9,10-dioxo-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-9,10-dihydro-anthracene-2-carboxylic acid. This reaction will need reagent Zn, AcOH. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c(c3C(=O)c1c(O)c(c(O)c(O)c1C(=O)c3cc2O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C
(2)InChI: InChI=1/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)/t7-,14-,19+,20-,21+/m1/s1
(3)InChIKey: DGQLVPJVXFOQEV-JNVSTXMABW
(4)Std. InChI: 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)/t7-,14-,19+,20-,21+/m1/s1
(5)Std. InChIKey: DGQLVPJVXFOQEV-JNVSTXMASA-N