Torulene

Base Information

• Chemical Name: Torulene
• CAS No.: 547-23-9
• Molecular Formula: C₄₀H₅₄
• Molecular Weight: 534.869
• UNII: 7KKR9CWX9P
• DSSTox Substance ID: DTXSID901029634
• Metabolomics Workbench ID: 28853
• Nikkaji Number: J674.606C
• Wikidata: Q7827444
• Wikipedia: Torulene
• Mol file: 547-23-9.mol

Synonyms:torulene;torulin

Chemical Property of Torulene

Chemical Property:

• Melting Point: 183-184 °C
• Boiling Point: 669.6°Cat760mmHg
• Flash Point: 353.6°C
• PSA: 0.00000
• Density: 0.92g/cm³
• LogP: 12.54790
• XLogP3: 14.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 534.422551722
• Heavy Atom Count: 40
• Complexity: 1220

Purity/Quality:

99% ^*data from raw 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=CC=C(C)C=CC=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=C(\C)/C=C/C=C(C)C)/C)/C
• Uses: Torulene is a carotenoid pigment that is shown to have antioxidant effects during aging in P. rhodozyma.

Technology Process of Torulene

There total 2 articles about Torulene 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:

(3'Z,5'Z)-torulene (1172110-65-4) → 3',4'-didehydro-β,φ-carotene (547-23-9)

Guidance literature:

With iodine;

DOI:10.1016/j.phytochem.2009.04.018

Reference yield:

→ 3',4'-didehydro-β,φ-carotene (547-23-9)

Guidance literature:

γ,γ-Dimethylallyl-triphenyl-phosphonium-bromid, β-Apo-4'-carotinal (C(35)), Na-ethylat;

DOI:10.1002/hlca.19610440414

Reference yield:

3',4'-didehydro-β,φ-carotene (547-23-9) → 3.4-Dehydro-torulin (16840-71-4)

Guidance literature:

With N-Bromosuccinimide; In chloroform; for 48h;

upstream raw materials:

(3'Z,5'Z)-torulene

Downstream raw materials:

3.4-Dehydro-torulin