Methyl 2-ethylhexanoate

Base Information Edit

Chemical Name:Methyl 2-ethylhexanoate
CAS No.:816-19-3
Deprecated CAS:125803-33-0
Molecular Formula:C9H18 O2
Molecular Weight:158.241
Hs Code.:
European Community (EC) Number:212-429-2
UNII:3100891M19
DSSTox Substance ID:DTXSID9052559
Nikkaji Number:J124.052H
Wikidata:Q27255986
ChEMBL ID:CHEMBL1762665
Mol file:816-19-3.mol

Synonyms:Methyl 2-ethylhexanoate;816-19-3;Hexanoic acid, 2-ethyl-, methyl ester;Hexanoic acid,2-ethyl-, methyl ester;2-Ethylhexanoic Acid Methyl Ester;CHEMBL1762665;2-Ethyl-methyl ester hexanoic acid;EINECS 212-429-2;UNII-3100891M19;AI3-33653;EC 212-429-2;Methyl-2-Butyl-Butyrate;3100891M19;methyl 2 ethylhexanoate;SCHEMBL49923;2-Ethylhexanoic acid methylester;DTXSID9052559;KICUISADAVMYCJ-UHFFFAOYSA-;BDBM50340083;Methyl ester of 2-ethylhexanoic acid;MFCD00043849;AKOS009513282;AS-76678;D93232;EN300-170600;Q27255986

Suppliers and Price of Methyl 2-ethylhexanoate

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

Total 9 raw suppliers

Chemical Property of Methyl 2-ethylhexanoate Edit

Chemical Property:

Vapor Pressure:1.09mmHg at 25°C
Boiling Point:176.5°C at 760 mmHg
Flash Point:59.4°C
PSA：26.30000
Density:0.874g/cm³
LogP:2.37580
Water Solubility.:202mg/L at 20℃
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Heavy Atom Count:11
Complexity:110

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC)C(=O)OC

Technology Process of Methyl 2-ethylhexanoate

There total 21 articles about Methyl 2-ethylhexanoate 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: 99.2%

: 149-57-5
2-Ethylhexanoic acid

: 616-38-6
carbonic acid dimethyl ester

: 816-19-3
methyl 2-ethylhexanoate

Guidance literature:: With sulfuric acid; at 80 - 85 ℃; for 10h; Neat (no solvent);
DOI:10.1021/op900096y

Reference yield: 94.0%

: 67-56-1
methanol

: 123-05-7
d,l-2-ethylhexanal

: 816-19-3
methyl 2-ethylhexanoate

Guidance literature:: With 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone; C₂₃H₁₉Cl₃N₃⁽¹⁺⁾*Cl^(1-); benzoic acid; In tetrahydrofuran; at 20 ℃; for 6h;
DOI:10.1002/anie.202104712