Synhexyl

Base Information

• Chemical Name: Synhexyl
• CAS No.: 117-51-1
• Molecular Formula: C22H32 O2
• Molecular Weight: 328.495
• UNII: 450N174F9W
• DSSTox Substance ID: DTXSID90861748
• Nikkaji Number: J5.289B
• Wikipedia: Parahexyl
• Wikidata: Q5661432
• ChEMBL ID: CHEMBL3245948
• Mol file: 117-51-1.mol

Synonyms:parahexyl;pyrahexyl;synhexyl

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Synhexyl

Chemical Property:

• Vapor Pressure: 7.64E-09mmHg at 25°C
• Refractive Index: nD20 1.5504
• Boiling Point: 453.5°Cat760mmHg
• PKA: 10.32±0.60(Predicted)
• Flash Point: 189.3°C
• PSA: 29.46000
• Density: 1.05g/cm³
• LogP: 6.25960
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 328.240230259
• Heavy Atom Count: 24
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O
• Uses: Synhexyl enhances central nervous system depression in rats.

Technology Process of Synhexyl

There total 1 articles about Synhexyl 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:

5-hexylbenzene-1,3-diol (5465-20-3) + pulegone (89-82-7,90449-51-7) → (R)-3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol (117-51-1)

Guidance literature:

With trichlorophosphate; benzene;

upstream raw materials:

5-hexylbenzene-1,3-diol

pulegone