2-Ethyl-1-pentanol

Base Information

• Chemical Name: 2-Ethyl-1-pentanol
• CAS No.: 27522-11-8
• Deprecated CAS: 111767-98-7
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• Hs Code.: 2905199090
• European Community (EC) Number: 248-506-2
• UNII: OBN948U5BH
• DSSTox Substance ID: DTXSID00880369
• Nikkaji Number: J250.528B
• Wikidata: Q27896075
• Mol file: 27522-11-8.mol

Synonyms:2-Ethyl-1-pentanol;2-Ethylpentan-1-ol;27522-11-8;1-Pentanol, 2-ethyl-;EINECS 248-506-2;OBN948U5BH;2-ethylpentanol;UNII-OBN948U5BH;SCHEMBL98863;3-(HYDROXYMETHYL)HEXANE;DTXSID00880369;AKOS006272369;FT-0713965;Q27896075

Chemical Property of 2-Ethyl-1-pentanol

Chemical Property:

• Vapor Pressure: 0.792mmHg at 25°C
• Melting Point: -30.45°C (estimate)
• Refractive Index: 1.4250
• Boiling Point: 161.3°Cat760mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 61.8°C
• PSA: 20.23000
• Density: 0.818g/cm³
• LogP: 1.80500
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYL-1-PENTANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC)CO

Technology Process of 2-Ethyl-1-pentanol

There total 10 articles about 2-Ethyl-1-pentanol 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:

carbon monoxide (201230-82-2) + 2-hexene (592-43-8) → 2-methylhexanal (925-54-2) + 2-ethylpentanal (22092-54-2) + 2-ethyl-1-pentanol (27522-11-8) + 2-methylhexan-1-ol (624-22-6)

Guidance literature:

With ; hydrogen; In ethanol; at 125 ℃; for 3h; under 30400 Torr; Title compound not separated from byproducts;

DOI:10.1039/dt9960001161

Reference yield:

methanol (67-56-1) + 1-hexene (592-41-6,25067-06-5) → heptanal (111-71-7) + 1,1-dimethoxyhexane (1599-47-9) + 2-ethyl-1-pentanol (27522-11-8)

Guidance literature:

With carbon monoxide; hydrogen; at 120 ℃; for 8h; under 30003 Torr; Reagent/catalyst; Autoclave; Green chemistry;

DOI:10.1007/s10562-020-03504-5

Reference yield:

ethyl-propyl-malonic acid diethyl ester (6065-62-9) → 2-ethyl-1-pentanol (27522-11-8)

Guidance literature:

With barium copper chromite; at 250 ℃; Hydrogenation;

upstream raw materials:

2-ethylvaleric acid

2-Ethylpentansaeure-methylester

ethyl ester of 2-ethylpentanoic acid

ethyl-propyl-malonic acid diethyl ester

Downstream raw materials:

(2-Ethyl-pentyloxysulfonyl)-phenyl-acetic acid

(2-ethylhexyl)benzene

(2-Ethyl-pentyl)-triphenyl-phosphonium; bromide

2-ethylvaleric acid