1,2,3-Hexanetriol, (2R,3S)-rel-

Base Information

• Chemical Name: 1,2,3-Hexanetriol, (2R,3S)-rel-
• CAS No.: 90325-47-6
• Molecular Formula: C6H14 O3
• Molecular Weight: 134.175
• UNII: XN0FZU1U8V,65A8B0NSL4
• Nikkaji Number: J344.092C
• Mol file: 90325-47-6.mol

Synonyms:(2R,3S)-hexane-1,2,3-triol;UNII-65A8B0NSL4;1,2,3-Hexanetriol, (2R,3S)-rel-;65A8B0NSL4;1,2,3-Hexanetriol, (R,S)-(+/-)-;1,2,3-Hexanetriol, (2R,3S)-(+/-)-;UNII-XN0FZU1U8V;XN0FZU1U8V;1,2,3-Hexanetriol, (2R,3S)-;1,2,3-Hexanetriol, (2R,3S)-(+)-;83134-92-3;130855-55-9;1,2,3-trihydroxyhexane;UNII-S2K8GDK6KP;S2K8GDK6KP;SCHEMBL9199211

Chemical Property of 1,2,3-Hexanetriol, (2R,3S)-rel-

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Melting Point: 67-69 °C(lit.)
• Refractive Index: 1.4850 (estimate)
• Boiling Point: 295.7°Cat760mmHg
• PKA: 13.81±0.20(Predicted)
• Flash Point: 147.7°C
• PSA: 60.69000
• Density: 1.11g/cm³
• LogP: -0.49940
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• XLogP3: -0.4
• 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:

98%Min ^*data from raw suppliers

1,2,3-Hexanetriol BioXtra, ≥98.0% (GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(CO)O)O
• Isomeric SMILES: CCC[C@@H]([C@@H](CO)O)O

Technology Process of 1,2,3-Hexanetriol, (2R,3S)-rel-

There total 3 articles about 1,2,3-Hexanetriol, (2R,3S)-rel- 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:

1-hexene-3-ol (4798-44-1,67928-93-2) → 1,2,3-hexanetriol (90325-47-6)

Guidance literature:

With sodium periodate; ruthenium trichloride; In ethyl acetate; acetonitrile; at 0 ℃; for 0.05h;

DOI:10.1039/b505949f

Reference yield:

1-hexene-3-ol (4798-44-1,67928-93-2) + potassium acetate (127-08-2) → 1,2,3-hexanetriol (90325-47-6)

Guidance literature:

With bromine; acetic acid; und erhitzen des erhaltenen Gemisches von α-Propyl-glycerin-diacetat und α-Propyl-glycerin-triacetat mit Wasser und mit Kalkwasser im Autoklaven auf 134grad;

DOI:10.1002/1521-3870(200008)46:3<385::AID-MALQ385>3.0.CO;2-D

Reference yield:

→ 1,2,3-hexanetriol (90325-47-6)

Guidance literature:

upstream raw materials:

1-hexene-3-ol

potassium acetate

Downstream raw materials:

1-hexene-3-ol

Toluene-4-sulfonic acid 2,2-dimethyl-5-propyl-[1,3]dioxolan-4-ylmethyl ester

Refernces

• 1、 Gancitano, Pamela,Ciriminna, Rosaria,Testa, Maria Luisa,Fidalgo, Alexandra,Ilharco, Laura M.,Pagliaro, Mario. "Enhancing selectivity in oxidation catalysis with sol-gel nanocomposites". . p. 2389 - 2392. Retrieved 2007/10/03.
• 2、 -. "Treatment of neurodegenerative diseases". . . Retrieved 2008/06/13.