1,2-Nonanediol

Base Information

• Chemical Name: 1,2-Nonanediol
• CAS No.: 42789-13-9
• Molecular Formula: C9H20O2
• Molecular Weight: 160.257
• Hs Code.: 2905399090
• NSC Number: 48030
• DSSTox Substance ID: DTXSID10286853
• Nikkaji Number: J2.637.866D
• Mol file: 42789-13-9.mol

Synonyms:1,2-Nonanediol;42789-13-9;nonane-1,2-diol;1,2-Dihydroxynonane;NSC48030;SCHEMBL82437;DTXSID10286853;MFCD01861291;NSC-48030;CS-0452415;FT-0606472;N0651;T72466

Chemical Property of 1,2-Nonanediol

Chemical Property:

• Vapor Pressure: 0.00215mmHg at 25°C
• Melting Point: 36oC
• Refractive Index: 1.4533 (estimate)
• Boiling Point: 155 °C / 17mmHg
• PKA: 14.52±0.20(Predicted)
• Flash Point: 115°C
• PSA: 40.46000
• Density: 0.929g/cm³
• LogP: 1.70010
• Solubility.: soluble in Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 74

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Nonanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CO)O

Technology Process of 1,2-Nonanediol

There total 21 articles about 1,2-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: 90.0%

S-methyl 2-hydroxynonanethioate (124838-41-1) → 1,2-Nonanediol (42789-13-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

DOI:10.1246/bcsj.62.2013

Reference yield: 87.2%

non-1-ene (124-11-8) → 1,2-Nonanediol (42789-13-9)

Guidance literature:

With formic acid; 3C₃₈H₈₀N⁽¹⁺⁾*O₁₆PW₄^(3-); dihydrogen peroxide; In water; at 40 ℃; for 3h; Green chemistry;

DOI:10.1016/j.cclet.2013.11.049

Reference yield: 69.0%

4-(hydroxymethyl)-1,3,2-dioxathiolane-2,2-dioxide (1433993-67-9) + n-hexylmagnesium chloride (44767-62-6) → 1,2-Nonanediol (42789-13-9)

Guidance literature:

4-(hydroxymethyl)-1,3,2-dioxathiolane-2,2-dioxide; n-hexylmagnesium chloride; With dilithium tetrachlorocuprate; In tetrahydrofuran; at 20 ℃; for 1h;

With sulfuric acid; In tetrahydrofuran; water; chemoselective reaction;

DOI:10.1021/acs.orglett.6b01745

upstream raw materials:

formic acid

non-1-ene

1,2-epoxynonane

nona-4,6,8-triyne-1,2-diol