Ethyl 3,5,5-trimethylhexanoate

Base Information

Chemical Name:Ethyl 3,5,5-trimethylhexanoate
CAS No.:67707-75-9
Molecular Formula:C11H22O2
Molecular Weight:186.294
Hs Code.:
European Community (EC) Number:266-959-4
DSSTox Substance ID:DTXSID7052367
Nikkaji Number:J333.323J

Synonyms:Ethyl 3,5,5-trimethylhexanoate;67707-75-9;Hexanoic acid, 3,5,5-trimethyl-, ethyl ester;3,5,5-Trimethyl-ethylcapronate;EINECS 266-959-4;Trihenone;SCHEMBL873392;DTXSID7052367;NMZMQQBBZRGLPJ-UHFFFAOYSA-N;ethyl 3,5,5 - trimethylhexanoate;AKOS006240685;5-CHLORO-2,2,3,3,4-PENTAFLUOROPENT-4-ENOICACID

Suppliers and Price of Ethyl 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
ETHYL-3,5,5-TRIMETHYLHEXANOATE 95.00%
5MG
$ 497.41

Total 14 raw suppliers

Chemical Property of Ethyl 3,5,5-trimethylhexanoate

Chemical Property:

Vapor Pressure:0.47mmHg at 25°C
Boiling Point:193.2°C at 760 mmHg
Flash Point:71.7°C
PSA：26.30000
Density:0.87g/cm³
LogP:3.01190
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:186.161979940
Heavy Atom Count:13
Complexity:156

Purity/Quality:

99.9% ^*data from raw suppliers

ETHYL-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:CCOC(=O)CC(C)CC(C)(C)C

Technology Process of Ethyl 3,5,5-trimethylhexanoate

There total 5 articles about Ethyl 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: 100.0%

: (E)-ethyl 3,5,5-trimethylhex-2-enoate

: 67707-75-9
3,5,5-trimethylhexanoic acid monoethyl ester

Guidance literature:: With 10% Pd/C; hydrogen; In methanol; under 1500.15 Torr; Inert atmosphere;
DOI:10.1002/chem.201200907

Reference yield:

: 590-50-1
4,4-dimethyl-pentan-2-one

: 67707-75-9
3,5,5-trimethylhexanoic acid monoethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.58 h / 0 °C / Inert atmosphere

1.2: Inert atmosphere; Reflux

2.1: 10% Pd/C; hydrogen / methanol / 1500.15 Torr / Inert atmosphere

With 10% Pd/C; hydrogen; sodium hydride; In tetrahydrofuran; methanol; mineral oil; 1.1: |Wittig-Horner Reaction / 1.2: |Wittig-Horner Reaction;
DOI:10.1002/chem.201200907

Reference yield:

: 3452-97-9,140237-84-9,140237-85-0
isononanol

: 67707-75-9
3,5,5-trimethylhexanoic acid monoethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: chromium (VI)-oxide; acetic acid

2: phosphorus (V)-chloride

3: pyridine

With pyridine; chromium(VI) oxide; phosphorus pentachloride; acetic acid;
DOI:10.1039/jr9510002543