2-Butylhexanol

Base Information

• Chemical Name: 2-Butylhexanol
• CAS No.: 2768-15-2
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• European Community (EC) Number: 220-451-9
• DSSTox Substance ID: DTXSID90182041
• Nikkaji Number: J299.223J
• Wikidata: Q83052695
• Mol file: 2768-15-2.mol

Synonyms:2-Butylhexanol;2-butylhexan-1-ol;2768-15-2;1-Hexanol, 2-butyl-;2-Butyl-1-hexanol;EINECS 220-451-9;starbld0002201;SCHEMBL317382;DTXSID90182041;AKOS006291937;A904022

Chemical Property of 2-Butylhexanol

Chemical Property:

• Vapor Pressure: 0.0365mmHg at 25°C
• Boiling Point: 213.4°C at 760 mmHg
• Flash Point: 87.1°C
• PSA: 20.23000
• Density: 0.826g/cm³
• LogP: 2.97530
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 63.3

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCCC)CO
• Uses: 2-?Butylhexanol is a reagent used in the analysis of polyphilic self assembly. Also a reactant in the study of porphyrin macrocycle slippage over polymer threads.

Technology Process of 2-Butylhexanol

There total 14 articles about 2-Butylhexanol 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: 89.0%

1,2-epoxy-2-butylhexane (37399-02-3) → 2-butylhexan-1-ol (2768-15-2)

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; manganese; water; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/ejoc.201000487

Reference yield: 69.0%

2-(1-butyl)-1-hexene (6795-79-5) → 2-butylhexan-1-ol (2768-15-2)

Guidance literature:

2-(1-butyl)-1-hexene; With dimethylsulfide borane complex; sodium hydroxide; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 4.5h;

With dihydrogen peroxide; In tetrahydrofuran; ethanol; water; toluene; at 20 ℃;

DOI:10.1002/chem.201403740

Reference yield:

2-butyl-hexanoic acid ethyl ester (2985-48-0) → 2-butylhexan-1-ol (2768-15-2)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

2-butylhexanoic acid

methyl 2-butylhexanoate

2-butyl-hexanoic acid ethyl ester

formaldehyd

Downstream raw materials:

(2-Butyl-hexyloxysulfonyl)-phenyl-acetic acid