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Substance Name: Canthaxanthin
RN: 514-78-3
UNII: 4C3C6403MU
InChIKey: FDSDTBUPSURDBL-DKLMTRRASA-N

Note

  • A trans-carotenoid pigment widely distributed in nature. The compound is used as an oral suntanning agent and as a food and drug coloring agent. Oral ingestion of the compound causes canthaxanthin retinopathy.

Molecular Formula

  • C40-H52-O2

Molecular Weight

  • 564.849
 

Classification Codes

  • Antioxidants
  • Human Data
  • Protective Agents
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Names and Synonyms

Name of Substance

  • beta,beta-Carotene-4,4'-dione
  • Canthaxanthin
  • CI 40850
  • Food orange 8

MeSH Heading

  • Canthaxanthin

Synonyms

  • 4,4'-Dioxo-beta-carotene
  • 4-07-00-02680 (Beilstein Handbook Reference)
  • all-trans,beta-Carotene-4,4'-dione
  • beta-Carotene-4,4'-dione, all-trans-
  • BRN 1898520
  • C.I. Food Orange 8
  • Cantaxanthin
  • Cantaxanthine
  • Canthaxanthin
  • Canthaxanthine
  • Carophyll Red
  • Carotene-4,4'-dione, beta-
  • CCRIS 3276
  • E 161 G
  • EINECS 208-187-2
  • L-Orange 7
  • NSC 374110
  • Orobronze
  • Ro 1-9915
  • Roxanthin Red 10
  • UNII-4C3C6403MU

Systematic Names

  • beta,beta-Carotene-4,4'-dione (9CI)
  • beta-Carotene-4,4'-dione, all-trans-
  • Canthaxanthin

Superlist Name

  • Canthaxanthin

Registry Numbers

CAS Registry Number

  • 514-78-3

FDA UNII

  • 4C3C6403MU

System Generated Number

  • 0000514783

Structure Descriptors

InChI

InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

InChIKey

FDSDTBUPSURDBL-DKLMTRRASA-N

Smiles

C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)CCC2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 86mg/kg/15W-I (86mg/kg) SENSE ORGANS AND SPECIAL SENSES: "RETINAL CHANGES (PIGMENTARY DEPOSITIONS, RETINITIS, OTHER): EYE" Medical Journal of Australia. Vol. 143, Pg. 622, 1985.
mouse LD50 oral 10gm/kg (10000mg/kg)   Scientia Pharmaceutica. Vol. 47, Pg. 39, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 14.1 (none)   EST
Atmospheric OH Rate Constant 7.04E-10 cm3/molecule-sec 25 EST

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