Triethylene glycol bis(2-ethylhexanoate)

• Catalog Number: ACM94280
• Product Name: Triethylene glycol bis(2-ethylhexanoate)
• CAS: 94-28-0
• Category: Heterocyclic Organic Compound
• Description: Triethylene glycol bis(2-ethylhexanoate) (TEGDEE) is an ester of triethylene glycol (TEG) and 2-ethylhexanoic acid. It is a colorless and odorless liquid with a low vapor pressure and low water solubility.
• IUPAC Name: 2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
• Molecular Weight: 402.565
• Molecular Formula: C22H42O6
• Canonical SMILES: CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
• InChI: InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
• InChI Key: FRQDZJMEHSJOPU-UHFFFAOYSA-N
• Boiling Point: 463.5±25.0 °C at 760 mmHg
• Melting Point: -50 °C(lit.)
• Flash Point: 194.6±23.2 °C
• Density: 1.0±0.1 g/mL
• Appearance: colorless and odorless liquid
• Application: Triethylene glycol bis(2-ethylhexanoate) has a wide range of applications in scientific research. It has been used as a solvent for the synthesis of organic compounds, as a plasticizer for polymers, and as a lubricant for mechanical systems. It has also been used as an additive in the production of pharmaceuticals and cosmetics. In addition, Triethylene glycol bis(2-ethylhexanoate) has been used as a solvent in the extraction and purification of proteins, enzymes, and other biomolecules.
• Storage: Store in a cool, dry, well-ventilated area away from incompatible substances.
• EC Number: 202-319-2
• Exact Mass: 402.298126
• PSA: 71.06
• Refractive Index: 1.451
• Vapor Pressure: 0.0±1.1 mmHg at 25°C
• XLogP3: 5.57

Custom Q&A

What is the molecular formula of Triethylene glycol bis(2-ethylhexanoate)?

The molecular formula of Triethylene glycol bis(2-ethylhexanoate) is C22H42O6.

What is the molecular weight of Triethylene glycol bis(2-ethylhexanoate)?

The molecular weight of Triethylene glycol bis(2-ethylhexanoate) is 402.6 g/mol.

What is the IUPAC name of Triethylene glycol bis(2-ethylhexanoate)?

The IUPAC name of Triethylene glycol bis(2-ethylhexanoate) is 2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate.

What is the InChIKey of Triethylene glycol bis(2-ethylhexanoate)?

The InChIKey of Triethylene glycol bis(2-ethylhexanoate) is FRQDZJMEHSJOPU-UHFFFAOYSA-N.

What is the CAS number of Triethylene glycol bis(2-ethylhexanoate)?

The CAS number of Triethylene glycol bis(2-ethylhexanoate) is 94-28-0.

What is the XLogP3-AA value of Triethylene glycol bis(2-ethylhexanoate)?

The XLogP3-AA value of Triethylene glycol bis(2-ethylhexanoate) is 5.4.

How many hydrogen bond donor counts does Triethylene glycol bis(2-ethylhexanoate) have?

Triethylene glycol bis(2-ethylhexanoate) has zero hydrogen bond donor count.

How many hydrogen bond acceptor counts does Triethylene glycol bis(2-ethylhexanoate) have?

Triethylene glycol bis(2-ethylhexanoate) has six hydrogen bond acceptor counts.

How many rotatable bond counts does Triethylene glycol bis(2-ethylhexanoate) have?

Triethylene glycol bis(2-ethylhexanoate) has 21 rotatable bond counts.

What is the formal charge of Triethylene glycol bis(2-ethylhexanoate)?

The formal charge of Triethylene glycol bis(2-ethylhexanoate) is 0.

Case Study

Triethylene glycol bis(2-ethylhexanoate) promotes the extraction ability and selectivity of BLM for alkali metal ions

Ajwani P,et al. Main Group Metal Chemistry, 2010, 33(4-5): 241-252.

Triethylene glycol bis(2-ethylhexanoate) can be used as a bulk liquid membrane (BLM) carrier to assist in the extraction of metal cations. The present investigation is the study of carrier-facilitated extraction of Na+ , K+ and Li+ picrate, dinitrophenolate and orthonitrophenolate salts in 1,2-dichIoroethane, chloroform and carbontetrachloride by using triethyleneglycol bis(2-ethylhexanoate).
1,2-dichloroethane can carry out the simultaneous separation of metals from aqueous solutions. The extraction efficiency is greater at optimum ionophore concentration, which is 1x10-3 M. The pseudocyclic cavity of the ionophore prefers the binding of K+ when the counter anions are dinitrophenolate and orthonitrophenolate, while Na+ is preferred in the case of picrates salts.