Poly(methyl methacrylate)(PMMA) , CAS No.9011-14-7

CAS: 9011-14-7 Cat. No.: P434524 Formula: [C₅H₈O₂]n EC Number: 618-466-4

Synonyms

2-methylacrylic acid methyl ester | 2-Methyl-acrylic acid methyl ester | Metakrylan metylu | Methylester kyseliny methakrylove [Czech] | NCI-C50680 | RCRA waste no. U162 | METHYL METHACRYLATE [HSDB] | NCGC00257921-01 | Methyl ester of 2-methyl-2-propenoic

Storage

Room temperature

Overview

Poly (methyl methacrylate) (PMMA) is an amorphous transparent thermoplastic polymer. PMMA is recognized as an optical polymer based on its refractive index of 1.49. Hence, it is used in optical fibers.It finds uses in biological applications because of its low water absorption capability and biocompatible.The maximum moisture content of PMMA is 1.71% and SBF absorption is 1.96%.Simulated Body fluid test (SBF) is a method to characterize the in vitro bioactivity of ceramic materials, by immersing the materials in an aqueous SBF solution.

Application

PMMA/HA (Hydroxyapatite) composites have be used in biomedical applications such as dentistry, orthopedic retainers, and bone replacement. It has been used as substrate for graphene growth. Some studies report its use as PMMA-titania hybrid optical thins films PMMA/polystryrene/clay nanocomposites PMMA/polyurethane/carbon black nanocomposites for methanol fuel cells.

Specifications

Synonyms

2-methylacrylic acid methyl ester | 2-Methyl-acrylic acid methyl ester | Metakrylan metylu | Methylester kyseliny methakrylove [Czech] | NCI-C50680 | RCRA waste no. U162 | METHYL METHACRYLATE [HSDB] | NCGC00257921-01 | Methyl ester of 2-methyl-2-propenoic

Storage

Room temperature

Names and Identifiers

• Pubchem Sid: 508816193
• Canonical Smiles: CC(=C)C(=O)OC
• IUPAC Name: methyl 2-methylprop-2-enoate
• InChIKey: VVQNEPGJFQJSBK-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
• Isomeric SMILES: CC(=C)C(=O)OC
• RTECS: TR0400000
• Reaxy-Rn: 605459
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605459&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: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Methyl 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: enoate ester

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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O: insoluble
• Refractive Index: 1.49
• Flash Point(°F): >250 ℉
• Flash Point(°C): ＞121.11℃
• Molecular Weight: 100.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 94.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1