2-Hexyl-5,5-dimethyl-1,3-dioxane

Base Information

Chemical Name:2-Hexyl-5,5-dimethyl-1,3-dioxane
CAS No.:13273-90-0
Molecular Formula:C12H24 O2
Molecular Weight:200.321
Hs Code.:2934999090
European Community (EC) Number:236-271-9
NSC Number:40970
UNII:K8585Q3D5L
DSSTox Substance ID:DTXSID10157736
Nikkaji Number:J213.799B
Wikidata:Q83025890
Mol file:13273-90-0.mol

Synonyms:2-Hexyl-5,5-dimethyl-1,3-dioxane;13273-90-0;1,3-Dioxane, 2-hexyl-5,5-dimethyl-;AI3-31932;K8585Q3D5L;EINECS 236-271-9;NSC-40970;NSC40970;UNII-K8585Q3D5L;DTXSID10157736;NSC 40970;5,5-Dimethyl-2-hexyl-1,3-dioxane

Suppliers and Price of 2-Hexyl-5,5-dimethyl-1,3-dioxane

Supply Marketing:

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

Total 5 raw suppliers

Chemical Property of 2-Hexyl-5,5-dimethyl-1,3-dioxane

Chemical Property:

Vapor Pressure:0.0923mmHg at 25°C
Boiling Point:231.9°Cat760mmHg
Flash Point:87.8°C
PSA：18.46000
Density:0.868g/cm³
LogP:3.35590
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:200.177630004
Heavy Atom Count:14
Complexity:144

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1OCC(CO1)(C)C

Technology Process of 2-Hexyl-5,5-dimethyl-1,3-dioxane

There total 2 articles about 2-Hexyl-5,5-dimethyl-1,3-dioxane 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: 95.0%

: 111-71-7
heptanal

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 13273-90-0
2-hexyl-5,5-dimethyl-1,3-dioxolane

Guidance literature:: With indium(III) trifluoride; In toluene; for 3.5h; chemoselective reaction; Reflux;
DOI:10.1016/j.tetlet.2011.11.135

Reference yield: 91.0%

: 111-71-7
heptanal

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 13273-90-0
2-hexyl-5,5-dimethyl-1,3-dioxolane

: 10032-05-0
1,1-dimethoxyheptane

Guidance literature:: With trimethyl orthoformate; aminopropylated Silica-Gel hydrochloride (APSG*HCl) resin; for 10h; Yields of byproduct given; Ambient temperature;
DOI:10.1016/S0040-4020(01)91796-X