Super Squalene; trans-Squalene;AddaVax

Base Information

• Chemical Name: Super Squalene; trans-Squalene;AddaVax
• CAS No.: 7683-64-9
• Molecular Formula: C₃₀H₅₀
• Molecular Weight: 410.727
• Hs Code.: 2901299090
• DSSTox Substance ID: DTXSID4064767
• Wikidata: Q72508801,Q105368603,Q105368604,Q105368605
• Metabolomics Workbench ID: 132019
• ChEMBL ID: CHEMBL3561564
• Mol file: 7683-64-9.mol

Synonyms:DTXSID4064767;Super Squalene;trans-Squalene;AddaVax;CHEMBL3561564;YYGNTYWPHWGJRM-UHFFFAOYSA-N;AKOS025243731;NCGC00181323-02;PD014521;FT-0772415

Chemical Property of Super Squalene; trans-Squalene;AddaVax

Chemical Property:

• Appearance/Colour: light yellow liquid
• Melting Point: ?75 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)
• Boiling Point: 429.3 °C at 760 mmHg
• Flash Point: 254.1 °C
• PSA: 0.00000
• Density: 0.848 g/cm³
• LogP: 10.60500
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 11.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 410.391251595
• Heavy Atom Count: 30
• Complexity: 578

Purity/Quality:

99.90% ^*data from raw suppliers

Squalene ≥98%, liquid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
• Uses: squalene is like squalane, squalene replenishes skin lipids while softening and smoothing. It helps maintain the skin in good condition. When used in hair care products, it serves as a hairconditioning and anti-static agent. Spinacene can be used for its antioxidant properties using its essential oils derived from its leaves and stem, including, effective larvacides

Technology Process of Super Squalene; trans-Squalene;AddaVax

There total 3 articles about Super Squalene; trans-Squalene;AddaVax 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:

Farnesol (106-28-5) → (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaene (111-02-4,7683-64-9,24566-13-0,56782-22-0,66700-96-7,72258-60-7,135092-55-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / methanesulfonyl chloride, pyridine / pentane

2: 1.) Pd₂(dba)3CHCl₃ / 1.) benzene; 2.) irradiation, acetonitrile

With pyridine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; methanesulfonyl chloride; In pentane;

Reference yield:

1-chloro-3,7,11-trimethyldodeca-2,6,10-triene (6784-45-8) → (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaene (111-02-4,7683-64-9,24566-13-0,56782-22-0,66700-96-7,72258-60-7,135092-55-6)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; Multistep reaction; 1.) benzene; 2.) irradiation, acetonitrile;

Reference yield:

(2E,6E)-farnesyl chloride (6784-45-8,67023-85-2,72132-86-6,67023-84-1) → (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaene (111-02-4,7683-64-9,24566-13-0,56782-22-0,66700-96-7,72258-60-7,135092-55-6)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; Yield given. Multistep reaction; 1.) benzene; 2.) irradiation, acetonitrile;

upstream raw materials:

1-chloro-3,7,11-trimethyldodeca-2,6,10-triene

(2E,6E)-farnesyl chloride

Farnesol

Downstream raw materials:

2,6,10,15,19,23-hexamethyltetracosane

Refernces