3,6-Dimethyloctane-3,6-diol

Base Information

• Chemical Name: 3,6-Dimethyloctane-3,6-diol
• CAS No.: 78-65-9
• Molecular Formula: C10H22O2
• Molecular Weight: 174.283
• European Community (EC) Number: 201-130-2
• NSC Number: 5614
• DSSTox Substance ID: DTXSID90999257
• Nikkaji Number: J192.569E
• Wikidata: Q27160810
• Mol file: 78-65-9.mol

Synonyms:3,6-Dimethyloctane-3,6-diol;78-65-9;3,6-Dimethyl-3,6-octanediol;3,6-dimethyloctan-3,6-diol;3,6-Octanediol, 3,6-dimethyl-;NSC 5614;EINECS 201-130-2;AI3-23140;3,6-dimethyl-3,6-octanediol, dl + meso;NSC5614;3, 3,6-dimethyl-;SCHEMBL1052050;3,6-Octanediol,3,6-dimethyl-;TRIPHENYLANTIMONYDICHLORIDE;DTXSID90999257;NSC-5614;MFCD00021827;AKOS024285297;3,6-Dimethyl-3,6-octanediol, (+/-) + meso;Q27160810

Chemical Property of 3,6-Dimethyloctane-3,6-diol

Chemical Property:

• Vapor Pressure: 0.00515mmHg at 25°C
• Melting Point: 45-48℃
• Refractive Index: 1.456
• Boiling Point: 244.3 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 40.46000
• Density: 0.923 g/cm³
• LogP: 2.08860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

3,6-DIMETHYL-3,6-OCTANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CCC(C)(CC)O)O

Technology Process of 3,6-Dimethyloctane-3,6-diol

There total 7 articles about 3,6-Dimethyloctane-3,6-diol 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:

3,6-dimethyl-oct-4-yne-3,6-diol (78-66-0) → 3,6-dimethyl-octane-3,6-diol (78-65-9)

Guidance literature:

With platinum; Hydrogenation;

Reference yield:

3,6-dimethyloctane (15869-94-0) → 2-heptanone, 5-methyl- (18217-12-4) + 3-methylpentan-3-ol (77-74-7) + 3,6-dimethyl-octane-3,6-diol (78-65-9) + 3,6-dimethyloctan-2-one (118452-32-7)

Guidance literature:

With 9,10-phenanthrenequinone; In chloroform; for 168h; Yield given. Further byproducts given. Yields of byproduct given; Irradiation;

DOI:10.1016/S0040-4039(00)82080-8

Reference yield:

3,6-dimethyloctane (15869-94-0) → 2-heptanone, 5-methyl- (18217-12-4) + 3-methylpentan-3-ol (77-74-7) + 3-octanol, 3,6-dimethyl- (151-19-9) + 3,6-dimethyl-octane-3,6-diol (78-65-9) + 3,6-dimethyloctan-2-one (118452-32-7)

Guidance literature:

With 9,10-phenanthrenequinone; In chloroform; for 168h; Mechanism; Product distribution; Irradiation;

DOI:10.1016/S0040-4039(00)82080-8

upstream raw materials:

3,6-dimethyl-oct-4-yne-3,6-diol

ethylmagnesium bromide

2,5-hexanedione

3,6-dimethyloctane

Downstream raw materials:

2,5-diethyl-2,5-dimethyl-tetrahydro-furan

Refernces