Octane-3,4-diol

Base Information

Chemical Name:Octane-3,4-diol
CAS No.:99799-31-2
Molecular Formula:C8H18O2
Molecular Weight:146.23
Hs Code.:2905399090
DSSTox Substance ID:DTXSID80520594
Nikkaji Number:J112.152I
Mol file:99799-31-2.mol

Synonyms:octane-3,4-diol;99799-31-2;erythro-octane-3,4-diol;SCHEMBL427800;DTXSID80520594

Suppliers and Price of Octane-3,4-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Octane-3,4-diol

Chemical Property:

Melting Point:96 - 97 °C (petroleum ether)
PSA：40.46000
LogP:1.30840
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:146.130679813
Heavy Atom Count:10
Complexity:73.7

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C(CC)O)O

Technology Process of Octane-3,4-diol

There total 3 articles about Octane-3,4-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:

: 14919-01-8
(E)-3-octene

: 90482-62-5
3,4-Epoxyoctane

: 99799-31-2
octane-3,4-diol

Guidance literature:: With dihydrogen peroxide; In water; at 20 ℃; for 5h; Reagent/catalyst; Catalytic behavior;
DOI:10.1039/d0ra02785e

Reference yield:

: 14919-01-8
(E)-3-octene

: 70859-23-3,70859-24-4,99799-31-2
threo-3,4-octanediol

: 28180-71-4,28180-72-5,90482-62-5
rac-trans-2-butyl-3-ethyloxirane

Guidance literature:: With [(1-[2’-(pyridyl)methyl]-4,7-dimethyl-1,4,7-triazacyclononane)Fe(OTf)₂]; water; dihydrogen peroxide; In acetonitrile; at 25 ℃; Inert atmosphere;
DOI:10.1002/chem.200802597

Reference yield:

: 4798-68-9
trans-2,3-epoxy-4-octanol

: 99799-31-2
octane-3,4-diol

: 90162-24-6
2,4-octanediol

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; magnesium iodide; Yield given. Multistep reaction. Yields of byproduct given; 1.) toluene, ether, -60 deg C, 2-5 h, 2.) 70 deg C, 1-2 h;
DOI:10.1016/S0040-4020(01)92240-9