Anhydroenneaheptitol

Base Information

• Chemical Name: Anhydroenneaheptitol
• CAS No.: 4744-47-2
• Molecular Formula: C9H18O6
• Molecular Weight: 222.238
• European Community (EC) Number: 225-259-9
• NSC Number: 76094
• UNII: 35JWE2OMU7
• DSSTox Substance ID: DTXSID6052118
• Wikidata: Q27256472
• Mol file: 4744-47-2.mol

Synonyms:Anhydroenneaheptitol;Enneaheptitol, anhydro-;4744-47-2;3,3,5,5-Tetramethylol-4-hydroxypyran;2H-Pyran-3,3,5,5(4H,6H)-tetramethanol, 4-hydroxy-;UNII-35JWE2OMU7;35JWE2OMU7;EINECS 225-259-9;NSC 76094;NSC-76094;Tetrahydro-3,3,5,5-tetrakis(hydroxymethyl)pyran-4-ol;4-Hydroxy-3,3,5,5-tetrakis(hydroxymethyl)tetrahydropyran;3,3,5,5-Tetrakis(hydroxymethyl)-4-hydroxy-tetrahydropyran;NSC76094;SCHEMBL5191481;DTXSID6052118;3,5,5-Tetramethylol-4-hydroxypyran;AKOS024323265;Tetra-(hydroxymethyl)-4-hydroxytetrahydropyran;2H-Pyran-3,5,5(4H,6H)-tetramethanol, 4-hydroxy-;4-Hydroxy-2H-pyran-3,3,5,5,(4H,6H)-tetramethanol;Q27256472;3,5,5-Tetrakis(hydroxymethyl)-4-hydroxy-tetrahydropyran;4-Hydroxy-3,5,5-tetrakis(hydroxymethyl)tetrahydropyran

Chemical Property of Anhydroenneaheptitol

Chemical Property:

• Vapor Pressure: 1.46E-11mmHg at 25°C
• Boiling Point: 487.8°Cat760mmHg
• Flash Point: 248.8°C
• PSA: 110.38000
• Density: 1.341g/cm³
• LogP: -2.68050
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 222.11033829
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

3,3,5,5-TETRAKIS(HYDROXYMETHYL)OXAN-4-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(CO1)(CO)CO)O)(CO)CO
• Uses: Alkyd resins, rosin esters, urethane coatings and foams, surfactants, lubricating oil additives.

Technology Process of Anhydroenneaheptitol

There total 2 articles about Anhydroenneaheptitol 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetone (67-64-1) → 3,3,5,5-Tetrakis-hydroxymethyl-tetrahydro-pyran-4-ol (4744-47-2)

Guidance literature:

With calcium hydroxide;

DOI:10.1021/ja01203a026

Reference yield:

acetone (67-64-1) → 3,3,5,5-Tetrakis-hydroxymethyl-tetrahydro-pyran-4-ol (4744-47-2)

Guidance literature:

With water; methyllithium; oxalic acid; calcium carbonate; at 100 ℃;

DOI:10.1038/sj.bjp.0704658

Reference yield:

3,3,5,5-Tetrakis-hydroxymethyl-tetrahydro-pyran-4-ol (4744-47-2) → 4-nitryloxy-3,3,5,5-tetrakis-nitryloximethyl-tetrahydro-pyran (98961-76-3)

Guidance literature:

With nitric acid;

upstream raw materials:

formaldehyd

acetone

Downstream raw materials:

4-nitryloxy-3,3,5,5-tetrakis-nitryloximethyl-tetrahydro-pyran