2-Ethyl-5-carboxypentyl phthalate

• Catalog Number: ACM40809414-2
• Product Name: 2-Ethyl-5-carboxypentyl phthalate
• CAS: 40809-41-4
• Category: Heterocyclic Organic Compound
• Synonyms: 1,2-Benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester
• IUPAC Name: 2-(5-Carboxy-2-ethylpentoxy)carbonylbenzoic acid
• Molecular Weight: 308.33
• Molecular Formula: C16H20O6
• Canonical SMILES: CCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O
• InChI: InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
• InChI Key: XFGRNAPKLGXDGF-UHFFFAOYSA-N
• Complexity: 392
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 308.12598835
• Formal Charge: 0
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 308.12598835
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 101 Ų
• Undefined Atom Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

A plasticizer

I used 2-ethyl-5-carboxypentyl phthalate as plasticizer to modify PVC material and got good mechanical properties.

Custom Q&A

What about the solubility of 2-ethyl-5-carboxypentyl phthalate?

Chloroform (Slightly), DMSO (Soluble), Methanol (Sparingly)

What are the conditions for safe storage of 2-ethyl-5-carboxypentyl phthalate?

2-Ethyl-5-carboxypentyl phthalate is hygroscopic and should be stored at -20°C under inert atmosphere

What are the relevant applications of 2-ethyl-5-carboxypentyl phthalate?

2-Ethyl-5-carboxypentyl phthalate is the primary plasticizer added to rigid polyvinyl chloride (PVC) for flexibility, temperature resistance, optical clarity, strength and kink resistance.

What is the acidity factor of 2-ethyl-5-carboxypentyl phthalate?

3.37±0.36

What is the boiling point of 2-ethyl-5-carboxypentyl phthalate?

516.1±35.0 °C

What is the density of 2-ethyl-5-carboxypentyl phthalate?

1.231±0.06 g/cm3

What is the form of 2-ethyl-5-carboxypentyl phthalate?

Colourless to light brown solid

What is the InchI Key of 2-ethyl-5-carboxypentyl phthalate?

1S\/C16H20O6\/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20\/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)

What is the molecular mass of 2-ethyl-5-carboxypentyl phthalate?

308.3264

What's the alias for 2-ethyl-5-carboxypentyl phthalate?

Mono(5-carboxy-2-ethylpentyl) phthalate