Mono(2-ethyl-5-hydroxyhexyl) phthalate

Base Information

Chemical Name:Mono(2-ethyl-5-hydroxyhexyl) phthalate
CAS No.:40321-99-1
Deprecated CAS:118422-09-6
Molecular Formula:C16H22 O5
Molecular Weight:294.348
Hs Code.:
DSSTox Substance ID:DTXSID50873160
Nikkaji Number:J1.884.645D
Wikidata:Q26841242
Metabolomics Workbench ID:74831
Mol file:40321-99-1.mol

Synonyms:MEHHP cpd;mono(2-ethyl-5-hydroxyhexyl) phthalate;mono(2-ethyl-5-hydroxyhexyl)phthalate

Suppliers and Price of Mono(2-ethyl-5-hydroxyhexyl) phthalate

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

TRC
mono-(2-Ethyl-5-hydroxyhexyl) phthalate, mixture of diastereomers
25mg
$ 1695.00

Sigma-Aldrich
mono-(2-Ethyl-5-hydroxyhexyl) phthalate, mixture of diastereomers analytical standard
50mg
$ 735.00

American Custom Chemicals Corporation
MONO(2-ETHYL-5-HYDROXYHEXYL)PHTHALATE 95.00%
5MG
$ 502.55

Total 8 raw suppliers

Chemical Property of Mono(2-ethyl-5-hydroxyhexyl) phthalate

Chemical Property:

Vapor Pressure:2.13E-09mmHg at 25°C
Boiling Point:463.7°Cat760mmHg
PKA:3.37±0.36(Predicted)
Flash Point:166.6°C
PSA：83.83000
Density:1.16g/cm³
LogP:2.72880
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:294.14672380
Heavy Atom Count:21
Complexity:342

Purity/Quality:

98%,99%, ^*data from raw suppliers

mono-(2-Ethyl-5-hydroxyhexyl) phthalate, mixture of diastereomers ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
Uses Phthalate metabolite.

Technology Process of Mono(2-ethyl-5-hydroxyhexyl) phthalate

There total 11 articles about Mono(2-ethyl-5-hydroxyhexyl) phthalate 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%

: 498572-81-9
mono-(2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl)phthalate

: 40321-99-1
mono(2-ethyl-5-hydroxyhexyl) 1,2-benzenedicarboxylate

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 72h;
DOI:10.1007/s007060200084

Reference yield: 48.0%

: 40321-98-0
mono(2-ethyl-5-oxohexyl) 1,2-benzenedicarboxylate

: 40321-99-1
mono(2-ethyl-5-hydroxyhexyl) 1,2-benzenedicarboxylate

Guidance literature:: With sodium tetrahydroborate; In ethanol; at 20 ℃; for 2h;
DOI:10.1016/j.bmc.2005.03.005

Reference yield:

: 58374-34-8
2-ethyl-hexane-1,5-diol

: 40321-99-1
mono(2-ethyl-5-hydroxyhexyl) 1,2-benzenedicarboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: 68 percent / imidazole / dimethylformamide / 3 h / 20 °C

2: 88 percent / imidazole; 4-dimethylaminopyridine / CH₂Cl₂ / 17 h / 20 °C

3: 76 percent / pyridinium p-toluenesulfonate / ethanol / 66 h / 20 °C

4: 86 percent / pyridine / 72 h / 20 °C

5: 96 percent / tetrabutylammonium fluoride / tetrahydrofuran / 72 h / 20 °C

With 1H-imidazole; dmap; tetrabutyl ammonium fluoride; pyridinium p-toluenesulfonate; In tetrahydrofuran; pyridine; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1007/s007060200084