Pentane-2,3-diol

Base Information

• Chemical Name: Pentane-2,3-diol
• CAS No.: 42027-23-6
• Molecular Formula: C5H12O2
• Molecular Weight: 104.149
• Hs Code.: 2905399090
• European Community (EC) Number: 255-632-1
• DSSTox Substance ID: DTXSID20871390
• Nikkaji Number: J112.126J
• Mol file: 42027-23-6.mol

Synonyms:2,3-pentanediol

Chemical Property of Pentane-2,3-diol

Chemical Property:

• Vapor Pressure: 0.173mmHg at 25°C
• Melting Point: 50.86°C (estimate)
• Refractive Index: 1.4412
• Boiling Point: 187.6°C at 760 mmHg
• PKA: 14.75±0.26(Predicted)
• Flash Point: 90.4°C
• PSA: 40.46000
• Density: 0.974g/cm³
• LogP: 0.13810
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 45.3

Purity/Quality:

99% ^*data from raw suppliers

pentane-2,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C)O)O

Technology Process of Pentane-2,3-diol

There total 51 articles about Pentane-2,3-diol 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: 95.3%

2,3-Pentanedione (600-14-6) → 2,3-pentanediol (42027-23-6)

Guidance literature:

With hydrogen; In isopropyl alcohol; at 100 ℃; for 1h; under 30003 Torr; Reagent/catalyst; Autoclave; Sealed tube;

DOI:10.1002/chem.202100613

Reference yield: 93.8%

rac-(2R,3S)-2-ethyl-3-methyloxirane (3203-98-3,3203-99-4,4016-15-3,93132-81-1,93132-82-2,93132-83-3,93132-84-4,104870-84-0,104870-88-4) → 2,3-pentanediol (42027-23-6)

Guidance literature:

With water; at 105 ℃; under 13501.4 Torr;

Reference yield: 93.7%

2,3-epoxypentane (4016-15-3) → 2,3-pentanediol (42027-23-6)

Guidance literature:

With water; at 100 ℃; under 13501.4 Torr;

upstream raw materials:

2,3-Pentanedione

2,3-dibromo-pentane

3-Hydroxy-2-pentanone

2-pentene

Downstream raw materials:

2,3-Pentanedione

formic acid

glycolic Acid

acetic acid

Refernces

• 1、 -. "Synthesis method of pentanediol and synthesis method for preparing biomass-based linear pentadiene based on lactic acid conversion". Paragraph 0204; 0207-0208; 0211; 0214-0215; 0218; 0221-0222. . Retrieved 2021/05/19.
• 2、 Bongaerts, Johannes,Jablonski, Melanie,Kipp, Carina Ronja,Molinnus, Denise,Muschallik, Lukas,Pohl, Martina,Sch?ning, Michael J.,Selmer, Thorsten,Siegert, Petra,Wagner, Torsten. "Synthesis of α-hydroxy ketones and vicinal (R, R)-diols by Bacillus clausii DSM 8716T butanediol dehydrogenase". . p. 12206 - 12216. Retrieved 2020/04/20.