alpha-Carotene

Base Information

• Chemical Name: alpha-Carotene
• CAS No.: 432-70-2
• Deprecated CAS: 24319-81-1
• Molecular Formula: C₄₀H₅₆
• Molecular Weight: 536.885
• UNII: 45XWE1Z69V
• DSSTox Substance ID: DTXSID00893691
• Nikkaji Number: J5.728B,J709.300D,J709.301B,J709.302K,J709.303I,J666.574H
• Wikipedia: %CE%91-Carotene
• Wikidata: Q142871
• NCI Thesaurus Code: C68304
• Metabolomics Workbench ID: 28788
• Mol file: 432-70-2.mol

Synonyms:alpha-carotene;alpha-carotene, (6'R)-isomer

Chemical Property of alpha-Carotene

Chemical Property:

• Boiling Point: 644.9°Cat760mmHg
• Flash Point: 341.2°C
• PSA: 0.00000
• Density: 0.938g/cm³
• LogP: 12.46170
• Storage Temp.: -20°C
• XLogP3: 13.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 536.438201786
• Heavy Atom Count: 40
• Complexity: 1200

Purity/Quality:

98%,99%, ^*data from raw suppliers

α-Carotene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)/C)/C
• Recent ClinicalTrials: Physicians' Health Study
• Uses: α-Carotene is the second most common form of carotene. A high dietary intakes of α-Carotene and other carotenoids may decrease the risk of gastric cancer, but data from population studies are inconsistent.

Technology Process of alpha-Carotene

There total 4 articles about alpha-Carotene 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:

alpha-carotene (7488-99-5) → 9-cis-α-carotene (432-70-2,7488-99-5,29907-61-7,30771-60-9,36516-73-1,52646-96-5,72274-46-5,79731-25-2,81767-53-5,83058-23-5,83058-24-6,86851-59-4,86851-60-7,149715-91-3,149715-92-4) + 13-cis-α-carotene + 15-cis-α-carotene

Guidance literature:

at 150 ℃; for 0.166667h; Rate constant; Kinetics; also iodine/light isomerisation, var. temp., var. time;

DOI:10.1021/jf00047a006

Reference yield:

(E)-β-ionone (79-77-6,14901-07-6) → α-carotene (432-70-2,7488-99-5,29907-61-7,30771-60-9,36516-73-1,52646-96-5,72274-46-5,79731-25-2,81767-53-5,83058-23-5,83058-24-6,86851-59-4,86851-60-7,149715-91-3,149715-92-4)

Guidance literature:

Darstellung ueber mehrere Stufen;

DOI:10.1002/hlca.19730560739 DOI:10.1002/hlca.19570400615

Reference yield:

(+/-)-15,15'-didehydro-β,ε-carotene → 9-cis-α-carotene (432-70-2,7488-99-5,29907-61-7,30771-60-9,36516-73-1,52646-96-5,72274-46-5,79731-25-2,81767-53-5,83058-23-5,83058-24-6,86851-59-4,86851-60-7,149715-91-3,149715-92-4)

Guidance literature:

With Lindlar's catalyst; benzene; Hydrogenation;

upstream raw materials:

(E)-β-ionone

alpha-carotene

(E,E,E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-enyl)octa-2,4,6-trienal

Downstream raw materials:

alpha-carotene

Refernces