1,9-Nonanediol

Base Information

• Chemical Name: 1,9-Nonanediol
• CAS No.: 3937-56-2
• Molecular Formula: C9H20O2
• Molecular Weight: 160.257
• Hs Code.: 2905.39
• European Community (EC) Number: 223-517-5
• NSC Number: 5416
• UNII: N4385C65C6
• DSSTox Substance ID: DTXSID5063237
• Nikkaji Number: J190B
• Wikidata: Q20054536
• NCI Thesaurus Code: C28777
• Mol file: 3937-56-2.mol

Synonyms:1,9-nonanediol

Chemical Property of 1,9-Nonanediol

Chemical Property:

• Appearance/Colour: white fused crystalline solid
• Vapor Pressure: 0.000196mmHg at 25°C
• Melting Point: 45-47 °C
• Refractive Index: 1.456
• Boiling Point: 292.4 °C at 760 mmHg
• PKA: 14.89±0.10(Predicted)
• Flash Point: 137 °C
• PSA: 40.46000
• Density: 0.931 g/cm³
• LogP: 1.70170
• Storage Temp.: Store below +30°C.
• Solubility.: Soluble in methanol.
• Water Solubility.: 5.7g/L at 20℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 56.6

Purity/Quality:

99%min ^*data from raw suppliers

1,9-Nonanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCO)CCCCO
• Uses: 1,9-Nonanediol is used in organic synthesis. It also can react with 3,4-dihydro-2H-pyran and 9-(tetrahydropyrane-2-yloxy)nonan-1-ol.

Technology Process of 1,9-Nonanediol

There total 41 articles about 1,9-Nonanediol 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: 99.0%

9-hydroxynonyl-1-triphenylmethylether (82777-72-8) → 1,9-Nonanediol (3937-56-2)

Guidance literature:

9-hydroxynonyl-1-triphenylmethylether; With n-butyllithium; In hexane; at 0 ℃;

With naphthalene; lithium; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 20h;

DOI:10.1055/s-2003-41057

Reference yield: 99.0%

1,9-di(trityloxy)nonane (634902-05-9) → 1,9-Nonanediol (3937-56-2)

Guidance literature:

With naphthalene; lithium; In tetrahydrofuran; at -30 ℃; for 3.5h;

DOI:10.1055/s-2003-41057

Reference yield: 98.0%

9-(triphenylsilyloxy)-1-nonanol (109027-55-6) → 1,9-Nonanediol (3937-56-2)

Guidance literature:

With naphthalene; lithium; In tetrahydrofuran; methanol; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.03.145

upstream raw materials:

Dimethyl azelate

diethyl azelate

azelaic acid

oleoyl alcohol

Downstream raw materials:

1,9-dichlorononane

9-chloro-1-nonanol

9-bromononan-1-ol

1,9-Dibromononane

Refernces

• 1、 Yuki, Yamato,Takahashi, Kohei,Tanaka, Yoshiyuki,Nozaki, Kyoko. "Tandem isomerization/hydroformylation/hydrogenation of internal alkenes to n-alcohols using Rh/Ru dual-or ternary-catalyst systems". . p. 17393 - 17400. Retrieved 2014/01/06.
• 2、 Szostak, Michal,Spain, Malcolm,Procter, David J.. "Electron transfer reduction of carboxylic acids using SmI 2-H2O-Et3N". supporting information; experimental part. p. 840 - 843. Retrieved 2012/04/11.