1,3-Octanediol

Base Information Edit

Chemical Name:1,3-Octanediol
CAS No.:23433-05-8
Molecular Formula:C8H18 O2
Molecular Weight:146.23
Hs Code.:
European Community (EC) Number:607-232-7
DSSTox Substance ID:DTXSID00865095
Nikkaji Number:J103.153H
Wikidata:Q104975918
Metabolomics Workbench ID:43788
Mol file:23433-05-8.mol

Synonyms:octane-1,3-diol

Suppliers and Price of 1,3-Octanediol

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1,3-Octanediol
50mg
$ 240.00

Crysdot
Octane-1,3-diol 97%
250mg
$ 344.00

Crysdot
Octane-1,3-diol 97%
1g
$ 860.00

American Custom Chemicals Corporation
1,3-OCTANEDIOL 95.00%
5MG
$ 500.53

Acrotein
1,3-Octanediol 97%
0.25g
$ 73.33

Acrotein
1,3-Octanediol 97%
1g
$ 183.33

ACHEMBLOCK
1,3-Octanediol 95%
1G
$ 310.00

ACHEMBLOCK
1,3-Octanediol 95%
250MG
$ 125.00

Total 10 raw suppliers

Chemical Property of 1,3-Octanediol Edit

Chemical Property:

Vapor Pressure:0.00244mmHg at 25°C
Melting Point:68-69℃
Refractive Index:1.4554 (589.3 nm 20℃)
Boiling Point:255.6°Cat760mmHg
PKA:14.96±0.10(Predicted)
Flash Point:117.2°C
PSA：40.46000
Density:0.937g/cm³
LogP:1.31000
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:146.130679813
Heavy Atom Count:10
Complexity:64.3

Purity/Quality:

99% ^*data from raw suppliers

1,3-Octanediol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(CCO)O

Technology Process of 1,3-Octanediol

There total 8 articles about 1,3-Octanediol 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:

: 22348-95-4
methyl 3-oxooctanoate

: 23433-05-8
1,3-octane diol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Inert atmosphere; Reflux;
DOI:10.1016/j.tetlet.2011.03.101

Reference yield:

: 2-(2-bromo-ethoxy)-3-pentyl-[1,2]oxaborolane

: 23433-05-8
1,3-octane diol

Guidance literature:: 2-(2-bromo-ethoxy)-3-pentyl-[1,2]oxaborolane; With trimethylamine-N-oxide; In benzene; at 80 ℃; for 24h;

With water; at 80 ℃; for 24h;
DOI:10.1002/(sici)1521-3773(19990614)38:12<1798::aid-anie1798>3.3.co;2-s

Reference yield:

: C₁₀H₁₉BBr₂O₂

: 23433-05-8
1,3-octane diol

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaBH₃CN; DAB; Bu₃SnH / tetrahydrofuran / 48 h / 55 °C

2.1: trimethylamine N-oxide / benzene / 24 h / 80 °C

2.2: H₂O / 24 h / 80 °C

With trimethylamine-N-oxide; tri-n-butyl-tin hydride; sodium cyanoborohydride; 1,4-diaminobutane; In tetrahydrofuran; benzene; 1.1: Cyclization / 2.1: Oxidation / 2.2: Hydrolysis;
DOI:10.1002/(sici)1521-3773(19990614)38:12<1798::aid-anie1798>3.3.co;2-s