2-Ethyl-5-carboxypentyl phthalate

CAS

40809-41-4

Catalog Number

ACM40809414-2

Category

Other Products

Molecular Weight

308.33

Molecular Formula

C16H20O6

MSDS COA Spec Sheet

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Specification

Synonyms

1,2-Benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester

IUPAC Name

2-(5-Carboxy-2-ethylpentoxy)carbonylbenzoic acid

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

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

308.12598835

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

308.12598835

Rotatable Bond Count

Topological Polar Surface Area

101 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

July 19, 2023

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

What is the molecular formula of 2-Ethyl-5-carboxypentyl phthalate?

The molecular formula of 2-Ethyl-5-carboxypentyl phthalate is C16H20O6.

What are some synonyms for 2-Ethyl-5-carboxypentyl phthalate?

Some synonyms for 2-Ethyl-5-carboxypentyl phthalate include 40809-41-4, MeCpp, and Mono(5-carboxy-2-ethylpentyl) phthalate.

What is the molecular weight of 2-Ethyl-5-carboxypentyl phthalate?

The molecular weight of 2-Ethyl-5-carboxypentyl phthalate is 308.33 g/mol.

What is the IUPAC name of 2-Ethyl-5-carboxypentyl phthalate?

The IUPAC name of 2-Ethyl-5-carboxypentyl phthalate is 2-(5-carboxy-2-ethylpentoxy)carbonylbenzoic acid.

What is the InChI of 2-Ethyl-5-carboxypentyl phthalate?

The InChI of 2-Ethyl-5-carboxypentyl phthalate is 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).

What is the CAS number for 2-Ethyl-5-carboxypentyl phthalate?

The CAS number for 2-Ethyl-5-carboxypentyl phthalate is 40809-41-4.

How many hydrogen bond donor counts are there in 2-Ethyl-5-carboxypentyl phthalate?

There are 2 hydrogen bond donor counts in 2-Ethyl-5-carboxypentyl phthalate.

How many hydrogen bond acceptor counts are there in 2-Ethyl-5-carboxypentyl phthalate?

There are 6 hydrogen bond acceptor counts in 2-Ethyl-5-carboxypentyl phthalate.

How many rotatable bond counts are there in 2-Ethyl-5-carboxypentyl phthalate?

There are 10 rotatable bond counts in 2-Ethyl-5-carboxypentyl phthalate.