Poly(methyl methacrylate) (PMMA) - average Mw~350,000 by GPC , CAS No.9011-14-7

CAS: 9011-14-7 Cat. No.: P434522 Formula: [C₅H₈O₂]n EC Number: 618-466-4

GRADE & PURITY average Mw~350,000 by GPC

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

The thermal degradation behaviour of PMMA ( avg Mol. wt. ~350,000 g mol -1 )was investigated in inert atmosphere, four weight loss steps were observed.

Application

Pigment-wetting binder for coatings. PMMA (avg. Mol wt. ~350,000 g mol -1 ) containing Fe 2 O 3 and TiO 2 fillers have possible uses as flame retardants.

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

Specifications & Purity

average Mw~350,000 by GPC

Storage

Room temperature

Names and Identifiers

• Pubchem Sid: 528774846
• 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: alcohols and ; aliphatic hydrocarbons: insolubleesters, ketones, aromatics and glycol ethers: soluble
• 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