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Substance Name: Carmine
RN: 1390-65-4
InChIKey: DGQLVPJVXFOQEV-BOZRTPIBSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • Unspecified

Molecular Weight

  • 492.387
 
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Names and Synonyms

Name of Substance

  • Carmine

Synonyms

  • B Rose liquid
  • Carmine
  • Carmine (Coccus cacti L.)
  • CCRIS 1204
  • Cochineal (Coccus cacti L.)
  • Cochineal extract lake
  • EINECS 215-724-4
  • FEMA No. 2242
  • FEMA No. 2330

Systematic Name

  • Carmine

Superlist Name

  • Carmine

Registry Numbers

CAS Registry Number

  • 1390-65-4

Other Registry Numbers

  • 52011-97-9
  • 8022-93-3

System Generated Number

  • 0001390654

Structure Descriptors

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-/m0/s1

InChIKey

DGQLVPJVXFOQEV-BOZRTPIBSA-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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.970 (none)   EST
Water Solubility 1300 mg/L 25 EXP
Vapor Pressure 9.71E-27 mm Hg 25 EST
Henry's Law Constant 6.57E-32 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.63E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.