2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 98%, Thermo Scientific Chemicals

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 6846-50-0
• Molecular Formula: C₁₆H₃₀O₄
• Molecular Weight (g/mol): 286.4
• MDL Number: MFCD00059267
• InChI Key: OMVSWZDEEGIJJI-UHFFFAOYSA-N
• Synonym: 2,2,4-trimethyl-1,3-pentanediol diisobutyrate, kodaflex txib, 2,2,4-trimethylpentane-1,3-diyl bis 2-methylpropanoate, txib, propanoic acid, 2-methyl-, 2,2-dimethyl-1-1-methylethyl-1,3-propanediyl ester, 2,2,4-trimethylpentanediol-1,3-diisobutyrate, isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, 1-isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-trimethyl-1,3-pentanediol ester, dsstox_cid_7635
• PubChem CID: 23284
• IUPAC Name: [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
• SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C

• CAS Min %: 97.5
• CAS Max %: 100.0
• Melting Point: -70.0°C
• Color: Colorless
• Density: 0.9400g/mL
• Boiling Point: 280.0°C
• Flash Point: 128°C
• Infrared Spectrum: Authentic
• Assay Percent Range: 98%
• Packaging: Glass bottle
• Refractive Index: 1.4330 to 1.4350
• Quantity: 1 kg
• Merck Index: 15, 9399
• Specific Gravity: 0.94
• Solubility Information: Solubility in water: insoluble
• Formula Weight: 286.4
• Percent Purity: 98%
• Physical Form: Liquid
• Chemical Name or Material: 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 98%

Safety and Handling

Product Identifier

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

Hazard Category

• LONG-TERM AQUATIC HAZARD Chronic 3

Hazard Statement

• H412-Harmful to aquatic life with long lasting effects.

Precautionary Statement

• P273-Avoid release to the environment.
• P501-Dispose of contents/container to .

RUO – Research Use Only