C.I. Natural orange 4 | CAS No. 1393-63-1

C.I. Natural orange 4

Basic Information

CAS Number

1393-63-1

Molecular Formula

C24H28O4

Molecular Weight

380.5 g/mol

AD

Basic Physical Properties

CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O

InChI

InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13-,22-14+

InChIKey

ZVKOASAVGLETCT-LRRSNBNMSA-N

LogP

log Kow = 7.36 (estimated)

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

740

Synonyms & References

English

  • 6,6'-Diapo-psi,psi-carotenedioic acid, 9-cis-
  • CI 75120
  • alpha-Norbixin
  • EINECS 215-735-4
  • Annatto
  • UNII-MH1WZE9GBD
  • HSDB 7976
  • cis-Norbixin
  • (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
  • MH1WZE9GBD
  • C.I. NATURAL ORANGE 4
  • 9-Cis-6,6'-diapo-psi,psi-carotenedioic acid
  • 9-CIS-6,6'-DIAPO-.PSI.,.PSI.-CAROTENEDIOIC ACID
  • .ALPHA.-NORBIXIN [MI]
  • (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-TETRAMETHYLICOSA-2,4,6,8,10,12,14,16,18-NONAENEDIOIC ACID
  • NCGC00091523-01
  • 2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID, 4,8,13,17-TETRAMETHYL-, (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-
  • Annatto (color)
  • CHEMBL1420783
  • 626-76-6
  • 1393-63-1
  • UNII-6PQP1V1B6O
  • FEMA No. 2104
  • SCHEMBL340220
  • 6PQP1V1B6O
  • FEMA No. 2103
  • (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-TETRAMETHYL-2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID
  • Annatto seed (Bixa orellana L.)
  • .ALPHA.-NORBIXIN
  • W-108218
  • Natural orange 4

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