2-Pentanol

Base Information

• Chemical Name: 2-Pentanol
• CAS No.: 6032-29-7
• Deprecated CAS: 113244-42-1,13403-73-1,141459-01-0,13403-73-1,141459-01-0
• Molecular Formula: C5H12O
• Molecular Weight: 88.1497
• Hs Code.: 29051500
• European Community (EC) Number: 227-907-6,256-810-1
• ICSC Number: 1428
• UN Number: 1987,1105
• UNII: 04G7050365
• DSSTox Substance ID: DTXSID3052721
• Nikkaji Number: J9.802G
• Wikipedia: 2-Pentanol
• Wikidata: Q210479
• Metabolomics Workbench ID: 44977
• ChEMBL ID: CHEMBL45065
• Mol file: 6032-29-7.mol

Synonyms:2-methyl-2-butanol;methyl butanol;potassium t-amylate;t-amyl alcohol;tert-amyl alcohol

Chemical Property of 2-Pentanol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Melting Point: -50 °C
• Refractive Index: n20/D 1.406(lit.)
• Boiling Point: 118.8 °C at 760 mmHg
• Flash Point: 33.9 °C
• PSA: 20.23000
• Density: 0.809 g/cm³
• LogP: 1.16730
• Water Solubility.: 16.6 g/ 100 mL (20℃)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 27.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R10:; R20:; R37:; R66:
• Safety Statements: S46:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCC(C)O
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The substance may cause effects on the central nervous system. Exposure at high levels could cause lowering of consciousness.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.

Technology Process of 2-Pentanol

There total 271 articles about 2-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: 89.5%

furfural (98-01-1) → 2-methylfuran (534-22-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + pentan-1-ol (71-41-0) + 2-Pentanone (107-87-9)

Guidance literature:

With Cu/SiO₂; hydrogen; at 220 ℃; for 0.5h; under 760.051 Torr; Reagent/catalyst; Time; Temperature; Catalytic behavior; Green chemistry;

DOI:10.1016/j.molcata.2014.12.001

Reference yield: 85.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) → 2-methylfuran (534-22-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1)

Guidance literature:

With hydrogen; In 1,2-dichloro-ethane; at 25 ℃; for 2h; under 2250.23 Torr; Reagent/catalyst; Time; Sealed tube; Green chemistry;

DOI:10.1002/cctc.201500242

Reference yield: 75.0%

furfural (98-01-1) → 2-methylfuran (534-22-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1)

Guidance literature:

With hydrogen; In toluene; at 189.84 ℃; for 3h; under 15001.5 Torr; Temperature; Pressure; Time; Catalytic behavior; Kinetics; Flow reactor;

DOI:10.1016/j.jssc.2021.122050

upstream raw materials:

2-methylfuran

1,4-Pentanediol

3-penten-2-one

Cyclopropyl methyl ketone

Downstream raw materials:

2-Pentanol 3,5-dinitrobenzoate ester

2-pentene

2-methyl-1-chlorobutane

carbamic acid-(1-methyl-butyl ester)

Refernces

• 1、 Lan, Xuefang,Pestman, Robert,Hensen, Emiel J.M.,Weber, Thomas. "Furfural hydrodeoxygenation (HDO) over silica-supported metal phosphides – The influence of metal–phosphorus stoichiometry on catalytic properties". . p. 181 - 193. Retrieved 2021/02/27.
• 2、 Betchaku, Mii,Cao, Ji,Liu, Lujie,Nakagawa, Yoshinao,Tamura, Masazumi,Tomishige, Keiichi,Yabushita, Mizuho. "Hydrodeoxygenation of C4-C6 sugar alcohols to diols or mono-alcohols with the retention of the carbon chain over a silica-supported tungsten oxide-modified platinum catalyst". supporting information. p. 5665 - 5679. Retrieved 2021/08/16.