Benzeneethanol, alpha-butyl-

Base Information

• Chemical Name: Benzeneethanol, alpha-butyl-
• CAS No.: 25755-72-0
• Deprecated CAS: 110227-68-4
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID40865251
• Nikkaji Number: J422.169I
• Mol file: 25755-72-0.mol

Synonyms:1-phenylhexan-2-ol;1-PHENYL-2-HEXANOL;Benzeneethanol, alpha-butyl-;25755-72-0;Benzeneethanol, .alpha.-butyl-;Benzeneethanol, ?-butyl-;SCHEMBL1828017;DTXSID40865251;AKOS011899592;A1-05241

Chemical Property of Benzeneethanol, alpha-butyl-

Chemical Property:

• Vapor Pressure: 0.0522mmHg at 25°C
• Boiling Point: 224.4°C at 760 mmHg
• Flash Point: 96.2°C
• PSA: 20.23000
• Density: 0.957g/cm³
• LogP: 2.78020
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

1-Phenylhexan-2-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC1=CC=CC=C1)O

Technology Process of Benzeneethanol, alpha-butyl-

There total 19 articles about Benzeneethanol, alpha-butyl- 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: 87.0%

pentanal (110-62-3) + benzyl chloride (100-44-7) → (+/-)-1-phenylhexan-2-ol (25755-72-0)

Guidance literature:

benzyl chloride; With 2-phenylpyridine; manganese chloride bis(lithium chloride); lithium; In tetrahydrofuran; at 0 - 5 ℃; for 3h;

pentanal; With copper(l) chloride; In tetrahydrofuran; at -20 ℃; for 2h;

DOI:10.1016/S0040-4039(99)01331-3

Reference yield: 80.0%

n-butyllithium (109-72-8,29786-93-4) + phenylacetaldehyde (122-78-1) → (+/-)-1-phenylhexan-2-ol (25755-72-0)

Guidance literature:

In hexane; at -78 - 20 ℃; for 1.16667h;

DOI:10.1002/anie.201806059

Reference yield: 75.0%

benzaldehyde, hydrazone (5281-18-5) + pent-2-en-1-ol (20273-24-9) → (+/-)-1-phenylhexan-2-ol (25755-72-0)

Guidance literature:

With potassium phosphate; tris(triphenylphosphine)ruthenium(II) chloride; 1,1'-bis(dicyclohexylphosphinocyclopentadienyl)iron; In 2-methyltetrahydrofuran; at 40 ℃; for 24h; Reagent/catalyst; Temperature; Catalytic behavior; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201915218

upstream raw materials:

1-phenyl-2-(phenylsulfonyl)ethane

peracide phenyl-7 heptanoique

1-phenyl-2-hexanone

chlorobenzene

Downstream raw materials:

1-phenyl-2-hexanone

1-(2-phenyloxiran-2-yl)pentan-1-onee

2-phenyl-hept-1-en-3-one