| Common Name |
Methyl methacrylate
| Description |
Methyl methacrylate is an enoate ester compound having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. (ChEBI) Methyl methacrylate has been shown to exhibit antibiotic function (PMID 15615201 ).Methyl methacrylate belongs to the family of Enones. These are compounds containing the enone functional group, with the structure RC(=O)CR.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB32385 (Methyl methacrylate)
| Synonyms |
| Value |
Source |
2-(Methoxycarbonyl)-1-propeneChEBI
2-Methyl-2-propenoic acid methyl esterChEBI
2-Methylacrylic acid methyl esterChEBI
Methacrylate de methyleChEBI
Methacrylic acid methyl esterChEBI
Methacrylsaeuremethyl esterChEBI
Methyl 2-methyl-2-propenoateChEBI
Methyl 2-methylacrylateChEBI
Methyl 2-methylpropenoateChEBI
Methyl alpha-methylacrylateChEBI
Methyl methylacrylateChEBI
Methyl-methacrylatChEBI
MethylmethacrylateChEBI
MMAChEBI
Polymethyl methacrylic acidGenerator
2-Methyl-2-propenoate methyl esterGenerator
2-Methylacrylate methyl esterGenerator
Methacrylic acid de methyleGenerator
Methacrylate methyl esterGenerator
Methyl 2-methyl-2-propenoic acidGenerator
Methyl 2-methylacrylic acidGenerator
Methyl 2-methylpropenoic acidGenerator
Methyl a-methylacrylateGenerator
Methyl a-methylacrylic acidGenerator
Methyl alpha-methylacrylic acidGenerator
Methyl α-methylacrylateGenerator
Methyl α-methylacrylic acidGenerator
Methyl methylacrylic acidGenerator
Methylmethacrylic acidGenerator
2-Methyl-acrylic acid methyl esterHMDB
2-Propenoic acid, 2-methyl-, methyl esterHMDB
Acrylic acid, 2-methyl-, methyl esterHMDB
Methyl ester OF 2-methyl-2-propenoic acidHMDB
| Chemical Formlia |
C5H8O2
| Average Molecliar Weight |
100.1158
| Monoisotopic Molecliar Weight |
100.0524295
| IUPAC Name |
methyl 2-methylprop-2-enoate
| Traditional Name |
methyl methacrylate
| CAS Registry Number |
80-62-6
| SMILES |
COC(=O)C(C)=C
| InChI Identifier |
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
| InChI Key |
VVQNEPGJFQJSBK-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formlia 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.
| Kingdom |
Organic compounds
| Super Class |
Organic acids and derivatives
| Class |
Carboxylic acids and derivatives
| Sub Class |
Carboxylic acid derivatives
| Direct Parent |
Enoate esters
| Alternative Parents |
Methyl esters
Monocarboxylic acids and derivatives
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Enoate ester
Methyl ester
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
enoate ester (CHEBI:34840 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Liquid
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point-48 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility15 mg/mL at 25 °CNot Available
LogP1.38Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility50.5 mg/mLALOGPS
logP1.1ALOGPS
logP1.31ChemAxon
logS-0.3ALOGPS
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity26.42 m3·mol-1ChemAxon
Polarizability10.47 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB009805
| KNApSAcK ID |
Not Available
| Chemspider ID |
6406
| KEGG Compound ID |
C14527
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Methyl_methacrylate
| NuGOwiki Link |
HMDB32385
| Metagene Link |
HMDB32385
| METLIN ID |
Not Available
| PubChem Compound |
6658
| PDB ID |
Not Available
| ChEBI ID |
34840
Product: Tafamidis
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Download (PDF) |
| General References |
- 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 ]
- (). EAFUS: Everything Added to Food in the United States.. .
|
PMID: 26338155
