3-Hydroxymethylpentane-1,5-diol

Base Information

• Chemical Name: 3-Hydroxymethylpentane-1,5-diol
• CAS No.: 998-12-9
• Molecular Formula: C6H14 O3
• Molecular Weight: 134.175
• Hs Code.: 2905499000
• European Community (EC) Number: 213-648-6
• DSSTox Substance ID: DTXSID30244253
• Nikkaji Number: J217.091D
• Wikidata: Q83128561
• Mol file: 998-12-9.mol

Synonyms:3-(hydroxymethyl)pentane-1,5-diol;3-Hydroxymethylpentane-1,5-diol;998-12-9;EINECS 213-648-6;SCHEMBL36516;3-Hydroxymethyl-1,5-pentanediol;DTXSID30244253;EN300-7337397

Chemical Property of 3-Hydroxymethylpentane-1,5-diol

Chemical Property:

• Vapor Pressure: 2.13E-05mmHg at 25°C
• Boiling Point: 323°Cat760mmHg
• Flash Point: 164.3°C
• PSA: 60.69000
• Density: 1.113g/cm³
• LogP: -0.64030
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.094294304
• Heavy Atom Count: 9
• Complexity: 50.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C(CCO)CO

Technology Process of 3-Hydroxymethylpentane-1,5-diol

There total 5 articles about 3-Hydroxymethylpentane-1,5-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:

→ 3-(2'-hydroxyethyl)tetrahydrofuran (130990-25-9) + 3-methylol-1,5-pentanediol (998-12-9)

Guidance literature:

Reference yield:

triethyl propane-1,2,3-tricarboxylate (1188-22-3) → 3-methylol-1,5-pentanediol (998-12-9)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/ie51398a030

Reference yield:

1 propene 1,2,3 tricarboxylic acid (499-12-7) → 3-methylol-1,5-pentanediol (998-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / diethyl ether

2: palladium on activated charcoal; hydrogen / ethanol

With lithium aluminium tetrahydride; palladium on activated charcoal; hydrogen; In diethyl ether; ethanol;

upstream raw materials:

triethyl propane-1,2,3-tricarboxylate

1 propene 1,2,3 tricarboxylic acid