C.I. Natural orange 4

Base Information

• Chemical Name: C.I. Natural orange 4
• CAS No.: 626-76-6
• Deprecated CAS: 1343-85-7,79586-44-0,8015-67-6
• Molecular Formula: C24H28O4
• Molecular Weight: 380.48
• European Community (EC) Number: 215-735-4
• UNII: MH1WZE9GBD
• DSSTox Substance ID: DTXSID60274023
• Nikkaji Number: J14.198D
• NCI Thesaurus Code: C73859
• RXCUI: 1313764
• Metabolomics Workbench ID: 144228
• ChEMBL ID: CHEMBL1420783
• Mol file: 626-76-6.mol

Synonyms:annatto

Chemical Property of C.I. Natural orange 4

Chemical Property:

• PSA: 74.60000
• LogP: 5.72180
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 380.19875937
• Heavy Atom Count: 28
• Complexity: 740

Purity/Quality:

99% ^*data from raw suppliers

BIXINSA-NORBIXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O
• Isomeric SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C(=O)O)/C=C/C=C(\C)/C=C/C(=O)O
• Uses: cis-Norbixin is a dye and the principal colour component of annatto extract, a food colouring.

Technology Process of C.I. Natural orange 4

There total 1 articles about C.I. Natural orange 4 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

bixin (6983-79-5,39937-23-0) → cis-norbixin (626-76-6)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 0.583333h;

DOI:10.3390/ph14111111

upstream raw materials:

bixin

Refernces