3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate

Base Information

Chemical Name:3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate
CAS No.:59219-71-5
Deprecated CAS:2604601-20-7
Molecular Formula:C18H36 O2
Molecular Weight:284.483
Hs Code.:
European Community (EC) Number:261-665-2,609-993-0
UNII:S4V5BS6GCX
DSSTox Substance ID:DTXSID80866747
Nikkaji Number:J308.648H
Wikidata:Q27288595
Mol file:59219-71-5.mol

Synonyms:3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate;59219-71-5;Tegosoft Ini;Dermol 99;Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester;Hatcol 5131;S4V5BS6GCX;Isononanoic acid, isononyl ester;EINECS 261-665-2;3,5,5-Trimethylhexyl-3,5,5-trimethylhexanoate;3 5 5-TRIMETHYLHEXYL 3 5 5-TRIMETHYL-;3,5,5-Trimethyl-1-hexyl 3,5,5-trimethylhexanoate;3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester;SALACOS 99;LANOL 99;SCHEMBL579240;KAK 99;DTXSID80866747;ISONONYL ISONONANOATE [INCI];AKOS015902988;ISONONYL ISONONANOATE [WHO-DD];A832937;J-200154;Q27288595;3,5,5-trimethylhexanoic acid-3,5,5-trimethylhexyl ester

Suppliers and Price of 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate

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

American Custom Chemicals Corporation
3,5,5-TRIMETHYLHEXYL 3,5,5-TRIMETHYLHEXANOATE 95.00%
5MG
$ 498.45

Total 28 raw suppliers

Chemical Property of 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate

Chemical Property:

Vapor Pressure:0.00264mmHg at 25°C
Refractive Index:n20/D 1.437
Boiling Point:286.4°C at 760 mmHg
Flash Point:136.3°C
PSA：26.30000
Density:0.856 g/mL at 20 °C(lit.)
LogP:5.45440
XLogP3:6.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:284.271530387
Heavy Atom Count:20
Complexity:281

Purity/Quality:

99.9% ^*data from raw suppliers

3,5,5-TRIMETHYLHEXYL 3,5,5-TRIMETHYLHEXANOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C

Technology Process of 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate

There total 2 articles about 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate 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: 96.0%

: 5435-64-3
3,5,5-trimethyl hexanal

: 59219-71-5
3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate

Guidance literature:: With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene; In toluene; at 23 - 60 ℃; Inert atmosphere;
DOI:10.1039/b926866a