Triisovalerin

Base Information

Chemical Name:Triisovalerin
CAS No.:620-63-3
Molecular Formula:C18H32 O6
Molecular Weight:344.448
Hs Code.:2915900090
European Community (EC) Number:210-645-1
NSC Number:4048
UNII:451HEL00B1
DSSTox Substance ID:DTXSID5060720
Nikkaji Number:J34.359E
Wikidata:Q27258790
Mol file:620-63-3.mol

Synonyms:Triisovalerin;Glycerol triisovalerate;620-63-3;Glycerol triisopentanoate;Isovalerin, tri;Butanoic acid, 3-methyl-, 1,2,3-propanetriyl ester;NSC 4048;propane-1,2,3-triyl tris(3-methylbutanoate);EINECS 210-645-1;1,2,3-Propanetriyl 3-methylbutanoate;BRN 1804184;UNII-451HEL00B1;Isovaleric acid, 1,2,3-propanetriyl ester;451HEL00B1;NSC-4048;Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester;Isovalerin, tri (6CI);glycerol tri(3 methylbutanoate);DTXSID5060720;SCHEMBL14415219;NSC4048;1,2,3-tris-(isovaleryloxy)-propane;Isovaleric acid,2,3-propanetriyl ester;LS-72134;WLN: 1Y1&1VO1YOV1Y1&1&1OV1Y1&1;Q27258790

Suppliers and Price of Triisovalerin

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 8 raw suppliers

Chemical Property of Triisovalerin

Chemical Property:

Vapor Pressure:0.000145mmHg at 25°C
Refractive Index:1.4354 (estimate)
Boiling Point:332.5°C at 760 mmHg
Flash Point:156.9°C
PSA：78.90000
Density:1.02g/cm³
LogP:3.12290
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:14
Exact Mass:344.21988874
Heavy Atom Count:24
Complexity:374

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C

Technology Process of Triisovalerin

There total 9 articles about Triisovalerin 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: 10.8%

: 201230-82-2
carbon monoxide

: 56-81-5,25618-55-7,64333-26-2,8013-25-0
glycerol

: 115-11-7,15220-85-6
isobutene

: isovaleric acid diglycol ester

: 620-63-3
glycerol tri(3-methylbutanoate)

Guidance literature:: With palladium(II) acetylacetonate; toluene-4-sulfonic acid; triphenylphosphine; at 90 ℃; for 3h; under 15201 Torr; regioselective reaction; Autoclave; neat (no solvent);
DOI:10.1134/S0965544112030127

Reference yield: 0.4%

: 201230-82-2
carbon monoxide

: 56-81-5,25618-55-7,64333-26-2,8013-25-0
glycerol

: 115-11-7,15220-85-6
isobutene

: 64633-18-7
isovaleric acid α-monoglyceride

: 50347-33-6
isovaleric acid α,α'-diglyceride

: 620-63-3
glycerol tri(3-methylbutanoate)

Guidance literature:: With toluene-4-sulfonic acid; triphenylphosphine; palladium(II) acetylacetonate; at 100 ℃; for 4h; under 15001.5 Torr;
DOI:10.1134/S0965544107050064