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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:49:31 UTC
Update Date2023-02-21 17:22:01 UTC
HMDB IDHMDB0032385
Secondary Accession Numbers
  • HMDB32385
Metabolite Identification
Common NameMethyl methacrylate
DescriptionMethyl methacrylate, also known as kallocryl or bone cement, zimmer, 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. Methyl methacrylate is an acrylic, aromatic, and fruity tasting compound. Methyl methacrylate has been detected, but not quantified in, blackberries (Rubus) and evergreen blackberries (Rubus laciniatus). This could make methyl methacrylate a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Methyl methacrylate.
Structure
Thumb
Synonyms
Chemical FormulaC5H8O2
Average Molecular Weight100.1158
Monoisotopic Molecular Weight100.0524295
IUPAC Namemethyl 2-methylprop-2-enoate
Traditional Namemethyl methacrylate
CAS Registry Number80-62-6
SMILES
COC(=O)C(C)=C
InChI Identifier
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChI KeyVVQNEPGJFQJSBK-UHFFFAOYSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentEnoate esters
Alternative Parents
Substituents
  • Enoate ester
  • Methyl ester
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-48 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility15 mg/mL at 25 °CNot Available
LogP1.38Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009805
KNApSAcK IDNot Available
Chemspider ID6406
KEGG Compound IDC19504
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMethyl_methacrylate
METLIN IDNot Available
PubChem Compound6658
PDB IDNot Available
ChEBI ID34840
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Polly DW Jr, Kuklo TR, Doukas WC, Scoville C: Advanced medical care for soldiers injured in Iraq and Afghanistan. Minn Med. 2004 Nov;87(11):42-4. [PubMed:15615201 ]
  2. (). EAFUS: Everything Added to Food in the United States.. .