Heptane-1,2,3-triol

Base Information

• Chemical Name: Heptane-1,2,3-triol
• CAS No.: 103404-57-5
• Molecular Formula: C₇H₁₆O₃
• Molecular Weight: 148.202
• Hs Code.: 29054900
• DSSTox Substance ID: DTXSID40908359
• Nikkaji Number: J803.531H
• Metabolomics Workbench ID: 75602
• Mol file: 103404-57-5.mol

Synonyms:1,2,3-heptanetriol;1,2,3-trihydroxyheptane;heptane-1,2,3-triol

Chemical Property of Heptane-1,2,3-triol

Chemical Property:

• Vapor Pressure: 6.98E-05mmHg at 25°C
• Melting Point: 52-55 °C(lit.)
• Refractive Index: 1.479
• Boiling Point: 306.8°C at 760mmHg
• Flash Point: 151.2°C
• Density: 1.078g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.109944368
• Heavy Atom Count: 10
• Complexity: 75.3

Purity/Quality:

97% ^*data from raw suppliers

1,2,3-Heptanetriol high melting isomer, ≥98.0% (GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CCCCC(C(CO)O)O

Technology Process of Heptane-1,2,3-triol

There total 4 articles about Heptane-1,2,3-triol 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-hepten-3-ol (4938-52-7) → 1,2,3-heptanetriol (103404-57-5)

Guidance literature:

With bromine; potassium acetate; acetic acid; und Erhitzen des erhaltenen Gemisches von α-Butyl-glycerin-diacetat und α-Butyl-glycerin-triacetat mit Wasser und 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-heptanetriol (103404-57-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

→ 1,2,3-heptanetriol (103404-57-5)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

upstream raw materials:

1-hepten-3-ol

Refernces

• 1、 -. "Treatment of neurodegenerative diseases". . . Retrieved 2008/06/13.