2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

Base Information Edit

Chemical Name:2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
CAS No.:6846-50-0
Deprecated CAS:53490-81-6,1206955-85-2,939776-40-6
Molecular Formula:C16H30 O4
Molecular Weight:286.412
Hs Code.:29156019
European Community (EC) Number:229-934-9
UNII:4KZA479DWQ
DSSTox Substance ID:DTXSID1027635
Nikkaji Number:J15.698A
Wikidata:Q27162056
Metabolomics Workbench ID:130611
ChEMBL ID:CHEMBL3183335
Mol file:6846-50-0.mol

Synonyms:2,2,4-trimethyl-1,3-pentanediol diisobutyrate;Kodaflex TXIB

Suppliers and Price of 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

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

TRC
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
25g
$ 155.00

TCI Chemical
2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate >98.5%(GC)
500mL
$ 21.00

TCI Chemical
2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate >98.5%(GC)
25mL
$ 14.00

Sigma-Aldrich
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate ≥98.5%
1l
$ 42.20

Sigma-Aldrich
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate ≥98.5%
4l
$ 119.00

Sigma-Aldrich
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate analytical standard
1ml
$ 59.60

Sigma-Aldrich
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate ≥98.5%
18l
$ 508.00

Medical Isotopes, Inc.
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
25 g
$ 625.00

Matrix Scientific
2,2,4-Trimethylpentane-1,3-diylbis(2-methylpropanoate) 95+%
10g
$ 13.00

Matrix Scientific
2,2,4-Trimethylpentane-1,3-diylbis(2-methylpropanoate) 95+%
100g
$ 49.00

Total 111 raw suppliers

Chemical Property of 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate Edit

Chemical Property:

Appearance/Colour:clear liquid
Vapor Pressure:0.00388mmHg at 25°C
Melting Point:-70 C
Refractive Index:n20/D 1.434(lit.)
Boiling Point:280 C
Flash Point:128 C
PSA：52.60000
Density:0.941 g/mL at 25 °C(lit.)
LogP:3.43560
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:13mg/L at 25℃
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:286.21440943
Heavy Atom Count:20
Complexity:329

Purity/Quality:

99% ^*data from raw suppliers

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s): UN NO.
Hazard Codes:UN NO.
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C
Uses Plasticizer. 2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate is a plastic additivea and was found to associate with newly diagnosed asthma. In manufacture of vinyl flooring, toys and other vinyl products.

Technology Process of 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

There total 10 articles about 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 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: 95.0%