Phytantriol

Base Information

• Chemical Name: Phytantriol
• CAS No.: 74563-64-7
• Molecular Formula: C20H42 O3
• Molecular Weight: 330.552
• European Community (EC) Number: 277-923-2
• UNII: 8LVI07A72W
• DSSTox Substance ID: DTXSID10868315
• Nikkaji Number: J25.794J
• Wikipedia: Phytantriol
• Wikidata: Q27120789
• Metabolomics Workbench ID: 56789
• Mol file: 74563-64-7.mol

Synonyms:3,7,11,15-tetramethyl-1,2,3-hexadecanetriol;phytantriol

Chemical Property of Phytantriol

Chemical Property:

• Vapor Pressure: 7.51E-08mmHg at 25°C
• Melting Point: 56-57°
• Refractive Index: n20/D 1.47(lit.)
• Boiling Point: 130oC0.01 mm Hg(lit.)
• PKA: 14.40±0.29(Predicted)
• Flash Point: 199oC
• PSA: 60.69000
• Density: 0.932 g/mL at 25oC(lit.)
• LogP: 4.52970
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly)
• Water Solubility.: 352μg/L at 20℃
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 330.31339520
• Heavy Atom Count: 23
• Complexity: 280

Purity/Quality:

99.9% ^*data from raw suppliers

Phytantriol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C(CO)O)O
• Uses: Penetration enhancer in hair and skin care products.

Technology Process of Phytantriol

There total 5 articles about Phytantriol 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: 78.0%

6,10,14-Trimethyl-2-(2-phenyl-[1,3]dioxolan-4-yl)-pentadecan-2-ol (105873-65-2) → 3,7,11,15-tetramethyl-1,2,3-trihydroxyhexadecane (74563-64-7)

Guidance literature:

With hydrogen; toluene-4-sulfonic acid; palladium; In ethanol;

DOI:10.1016/S0040-4039(00)83942-8

Reference yield:

2-methyl-3,4-epoxy-1-butene (7437-61-8) → 3,7,11,15-tetramethyl-1,2,3-trihydroxyhexadecane (74563-64-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 72 percent / tetrakis(triphenylphosphine)palladium

2: 88 percent / m-CPBA, Na₂CO₃

3: 95 percent / H₂O / Li₂CuCl₄ (4 molpercent)

4: 78 percent / H₂, p-toluene sulfonic acid / palladium black / ethanol

With water; hydrogen; sodium carbonate; toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dilithium tetrachlorocuprate; palladium; In ethanol;

DOI:10.1016/S0040-4039(00)83942-8

Reference yield:

4-Isopropenyl-2-phenyl-[1,3]dioxolane (105873-61-8) → 3,7,11,15-tetramethyl-1,2,3-trihydroxyhexadecane (74563-64-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / m-CPBA, Na₂CO₃

2: 95 percent / H₂O / Li₂CuCl₄ (4 molpercent)

3: 78 percent / H₂, p-toluene sulfonic acid / palladium black / ethanol

With water; hydrogen; sodium carbonate; toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; dilithium tetrachlorocuprate; palladium; In ethanol;

DOI:10.1016/S0040-4039(00)83942-8

upstream raw materials:

6,10,14-Trimethyl-2-(2-phenyl-[1,3]dioxolan-4-yl)-pentadecan-2-ol

2-methyl-3,4-epoxy-1-butene

4-Isopropenyl-2-phenyl-[1,3]dioxolane

4-(1,2-epoxy-1-methylethyl)-2-phenyl-1,3-dioxolane

Refernces