1,2,5-Hexanetriol

Base Information

• Chemical Name: 1,2,5-Hexanetriol
• CAS No.: 10299-30-6
• Molecular Formula: C6H14O3
• Molecular Weight: 134.175
• European Community (EC) Number: 695-737-3
• DSSTox Substance ID: DTXSID70431423
• Nikkaji Number: J803.525C
• Wikidata: Q82245293

Synonyms:1,2,5-Hexanetriol;10299-30-6;UNII-540DB44OXQ;540DB44OXQ;1,2,5-trihydroxyhexane;SCHEMBL148951;DTXSID70431423;AKOS021163460

Chemical Property of 1,2,5-Hexanetriol

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.094294304
• Heavy Atom Count: 9
• Complexity: 65.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(CO)O)O

Technology Process of 1,2,5-Hexanetriol

There total 12 articles about 1,2,5-Hexanetriol 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: 91.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → tetrahydrofuran-2,5-dimethanol (104-80-3,1122-89-0,2144-40-3,81370-88-9,81370-89-0) + hexane-1,2,6-triol (106-69-4,112254-74-7) + hexane-1,2,5-triol (10299-30-6) + 1,2,5,6-hexanetetrol (20221-50-5,24211-51-6,122923-46-0,5581-21-5)

Guidance literature:

With water; hydrogen; In butan-1-ol; at 129.84 ℃; for 12h; under 20686.5 Torr; Reagent/catalyst; Time; Solvent; pH-value; chemoselective reaction; Mechanism; Sealed vessel;

DOI:10.1039/c2gc35039d

Reference yield:

inulin → tetrahydrofuran-2,5-dimethanol (104-80-3,1122-89-0,2144-40-3,81370-88-9,81370-89-0) + (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + hexane-1,2,6-triol (106-69-4,112254-74-7) + 1,2-pentanediol (5343-92-0) + Hexane-1,2-diol (6920-22-5) + hexane-1,2,5-triol (10299-30-6) + 5-methyl-dihydro-furan-2-one (108-29-2)

Guidance literature:

With hydrogen; In cyclohexane; water; at 159.84 ℃; for 4h; under 30003 Torr; Autoclave;

DOI:10.1039/c7ra03939e

Reference yield:

D-Fructose (57-48-7,18875-34-8) → tetrahydrofuran-2,5-dimethanol (104-80-3,1122-89-0,2144-40-3,81370-88-9,81370-89-0) + (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + hexane-1,2,6-triol (106-69-4,112254-74-7) + 1,2-pentanediol (5343-92-0) + Hexane-1,2-diol (6920-22-5) + hexane-1,2,5-triol (10299-30-6) + 5-methyl-dihydro-furan-2-one (108-29-2)

Guidance literature:

With hydrogen; In cyclohexane; water; at 159.84 ℃; for 4h; under 30003 Torr; Autoclave;

DOI:10.1039/c7ra03939e

upstream raw materials:

glucose

ethanol

Sucrose

5-hydroxymethyl-2-furfuraldehyde

Downstream raw materials:

4-Nitro-benzoesaeureester des Hexantriols-(1.2.5)

(2S,4S)-4-hydroxy-2-methyltetrahydropyran

tetrahydro-5-methyl-2-furanmethanol

Z-5-Hydroxy-hexen-2

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