5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol

Base Information

• Chemical Name: 5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol
• CAS No.: 36400-98-3
• Molecular Formula: C18H38 O
• Molecular Weight: 270.499
• Hs Code.: 2905199090
• European Community (EC) Number: 826-392-0
• NSC Number: 83186
• DSSTox Substance ID: DTXSID70292490
• Nikkaji Number: J112.447A
• Mol file: 36400-98-3.mol

Synonyms:36400-98-3;5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol;2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctan-1-ol;NSC 83186;1-Octanol,5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-;5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl alcohol;1-Octanol, 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-;NSC83186;NCIOpen2_005245;SCHEMBL3966024;DTXSID70292490;NSC-83186;1-Octanol,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-;5,7,7-trimethyl-2-(1,3,3-trimethylbutyl) octanol;2-(1,3,3-trimethyl-n-butyl)-5,7,7-trimethyl-n-octanol;5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol #

Chemical Property of 5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Boiling Point: 295.2°Cat760mmHg
• PKA: 14.97±0.10(Predicted)
• Flash Point: 128.2°C
• PSA: 20.23000
• Density: 0.833g/cm³
• LogP: 5.51970
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 270.292265831
• Heavy Atom Count: 19
• Complexity: 231

Purity/Quality:

99.9% ^*data from raw suppliers

2-(1,3,3-Trimethylbutyl)-5,7,7-trimethyloctanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(CO)C(C)CC(C)(C)C)CC(C)(C)C
• Uses: 2-(1,3,3-Trimethylbutyl)-5,7,7-trimethyloctanol is a reagent used in the synthesis of new ascorbic derivatives which may be pro-vitamin C and useful in skin-care applications.

Technology Process of 5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol

There total 3 articles about 5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol 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: 100.0%

isononanol (3452-97-9,140237-84-9,140237-85-0) → 2-(1,3,3-trimethyl butyl)-5,7,7-trimethyl octanol (36400-98-3)

Guidance literature:

With 3,5,5-trimethyl hexanal; hydrogen; zinc(II) oxide; at 230 ℃; for 5h; Reagent/catalyst; Catalytic behavior;

Reference yield: 55.0%

5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-octanoic acid (54680-48-7) → 2-(1,3,3-trimethyl butyl)-5,7,7-trimethyl octanol (36400-98-3)

Guidance literature:

5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-octanoic acid; With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

With iodine; In tetrahydrofuran; for 4h; Inert atmosphere;

DOI:10.1002/chem.202102663

Reference yield:

→ 2-(1,3,3-trimethyl butyl)-5,7,7-trimethyl octanol (36400-98-3)

Guidance literature:

With 1,4-dioxane; kieselguhr; nickel; at 150 ℃; under 102971 - 514855 Torr; Hydrogenation;

upstream raw materials:

isononanol

5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-octanoic acid

Refernces

• 1、 -. "Method for preparing branched alcohol". Page/Page column 6; 7; 8. . Retrieved 2019/01/25.