2-Hexyl-1-octanol

Base Information

• Chemical Name: 2-Hexyl-1-octanol
• CAS No.: 19780-79-1
• Molecular Formula: C14H30O
• Molecular Weight: 214.392
• Hs Code.: 2905199090
• European Community (EC) Number: 606-381-5
• UNII: 5D8007Z3JI
• DSSTox Substance ID: DTXSID20337921
• Nikkaji Number: J728.539F
• Wikidata: Q27894369
• Mol file: 19780-79-1.mol

Synonyms:2-Hexyl-1-octanol;19780-79-1;2-hexyloctan-1-ol;1-Octanol, 2-hexyl-;2-Hexyl-1-n-octanol;2-hexyloctanol;2-hexyloctyl alcohol;5D8007Z3JI;2-Hexyl-n-octyl Alcohol;SCHEMBL474275;UNII-5D8007Z3JI;DTXSID20337921;CHEBI:140566;MFCD00046769;FT-0753487;H1635;T72023;Q27894369

Chemical Property of 2-Hexyl-1-octanol

Chemical Property:

• Vapor Pressure: 0.000628mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 275.7 °C at 760 mmHg
• PKA: 15.13±0.10(Predicted)
• Flash Point: 109.9 °C
• PSA: 20.23000
• Density: 0.832 g/cm³
• LogP: 4.53570
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 214.229665576
• Heavy Atom Count: 15
• Complexity: 99.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Hexyl-1-n-octanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCCCC)CO

Technology Process of 2-Hexyl-1-octanol

There total 16 articles about 2-Hexyl-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: 93.0%

methyl 2-hexyloctanoate (58478-86-7) → 2-hexyl-1-octanol (19780-79-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 6h; Reflux;

DOI:10.1002/chem.201802050

Reference yield: 87.0%

→ 2-hexyl-1-octanol (19780-79-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 6h; Cooling; Inert atmosphere;

Reference yield: 19.2%

octanol (111-87-5) + hexan-1-ol (111-27-3) → 2-hexadecyleicosyl alcohol (17658-63-8) + 2-(n-butyl)octanol (3913-02-8) + 2-hexyl-1-octanol (19780-79-1) + 2-butyl-1-decanol (21078-81-9,123518-89-8)

Guidance literature:

With potassium hydroxide; at 225 ℃; for 6h; Dean-Stark; Inert atmosphere;

upstream raw materials:

butan-1-ol

6-methylenetridecane

7-formyltridecane

tridecan-7-one

Downstream raw materials:

2-hexyl-1-octyl 2,3-di-O-benzyl-4,6-O-benzylidene-α-D-glucopyranoside

2-hexyl-1-octyl 2,3,4-tri-O-benzyl-α-D-glucopyranoside

C₆₈H₈₄O₁₁

2-hexyl-1-octyl 6-O-(2,3,6-tri-O-benzyl-β-D-glucopyranosyl)-2,3,4-tri-O-benzyl-α-D-glucopyranoside

Refernces

• 1、 Prehm, Marko,Enders, Claudia,Mang, Xiaobin,Zeng, Xiangbing,Liu, Feng,Ungar, Goran,Baumeister, Ute,Tschierske, Carsten. "Lamellar Liquid Crystals of In-Plane Lying Rod-Like Mesogens with Designer Side-Chains: The Case of Sliding versus Locked Layers". supporting information. p. 16072 - 16084. Retrieved 2018/10/15.
• 2、 Zhu, Chenjie,Shen, Tao,Liu, Dong,Wu, Jinglan,Chen, Yong,Wang, Linfeng,Guo, Kai,Ying, Hanjie,Ouyang, Pingkai. "Production of liquid hydrocarbon fuels with acetoin and platform molecules derived from lignocellulose". . p. 2165 - 2174. Retrieved 2016/04/19.