9,9'-Di-cis-zeta-carotene

Base Information

• Chemical Name: 9,9'-Di-cis-zeta-carotene
• CAS No.: 72746-33-9
• Molecular Formula: C40H60
• Molecular Weight: 540.9
• UNII: 341QZ5N3E6
• DSSTox Substance ID: DTXSID501030374
• Nikkaji Number: J11.953I
• Wikidata: Q27121351
• Metabolomics Workbench ID: 29014
• Mol file: 72746-33-9.mol

Synonyms:Carotene, zeta;zeta Carotene;zeta-Carotene

Chemical Property of 9,9'-Di-cis-zeta-carotene

Chemical Property:

• Boiling Point: 640.8oC at 760 mmHg
• Flash Point: 342oC
• PSA: 0.00000
• Density: 0.876g/cm3
• LogP: 13.38600
• XLogP3: 15.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 540.469501914
• Heavy Atom Count: 40
• Complexity: 967

Purity/Quality:

99%min ^*data from raw suppliers

zeta-Carotene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)\C)/C)/C)C
• Uses: ζ-Carotene is an antioxidant β-carotene (C184250) found in human milk and serum as well as in food sources such as tomatoes.