Poly(2-ethylhexyl methacrylate) solution - average Mw ~123,000 by GPC, in toluene , CAS No.25719-51-1

CAS: 25719-51-1 Cat. No.: P478250

GRADE & PURITY average Mw ~123,000 by GPC, in toluene

Synonyms

EC 211-708-6 | UNII-8Q7XLQ325N | Tox21_303072 | WDQMWEYDKDCEHT-UHFFFAOYSA- | NCGC00259085-01 | 2-Ethylhexyl 2-methylacrylate # | 2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester | Methacrylate, 2-ethylisohexy | (+/-)-2-ethylhexyl methacrylate | 2-Ethyl-1-h

Storage

Room temperature

Overview

Description

PEHMA exhibits biomimetic properties. It finds potential application as a flexible hydrogel for ophthalmologic applications.Poly(2-ethylhexyl methacrylate) (PEHMA) may be used to synthesize binary polymeric blends with poly(butyl methacrylate). PEHMA may be utilized in the preparation of PEHMA /carbon black composites for gas sensing. PHEMA-antioxidant conjugate (Quercetin (Q) ) may be prepared for ophthalmologic uses.

Specifications

Synonyms

EC 211-708-6 | UNII-8Q7XLQ325N | Tox21_303072 | WDQMWEYDKDCEHT-UHFFFAOYSA- | NCGC00259085-01 | 2-Ethylhexyl 2-methylacrylate # | 2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester | Methacrylate, 2-ethylisohexy | (+/-)-2-ethylhexyl methacrylate | 2-Ethyl-1-h

Specifications & Purity

average Mw ~123, 000 by GPC, in toluene

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCCCC(CC)COC(=O)C(=C)C
• IUPAC Name: 2-ethylhexyl 2-methylprop-2-enoate
• InChIKey: WDQMWEYDKDCEHT-UHFFFAOYSA-N
• INCHI: 1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
• Isomeric SMILES: CCCCC(CC)COC(=O)C(=C)C
• UN Number: 1993BF
• Reaxy-Rn: 1769420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): Tg−10℃
• Molecular Weight: 198.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1