Ethylene dimethylacrylate (CHEM015651)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 04:56:18 UTC
Update Date2016-11-09 01:15:15 UTC
Accession NumberCHEM015651
Identification
Common NameEthylene dimethylacrylate
ClassSmall Molecule
DescriptionThe enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol.
Contaminant Sources
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1,2-Bis(methacryloyloxy)ethaneChEBI
1,2-Ethanediol dimethacrylateChEBI
1,2-Ethanediyl 2-methyl-2-propenoateChEBI
2-(Methacryloyloxy)ethyl 2-methylacrylateChEBI
2-Methyl-2-propenoic acid 1,2-ethanediyl esterChEBI
Diglycol dimethacrylateChEBI
EGDMAChEBI
Ethanediol dimethacrylateChEBI
Ethyldiol metacrylateChEBI
Ethyldiol methacrylateChEBI
Ethylene dimethacrylateChEBI
Ethylene glycol bis(methacrylate)ChEBI
Ethylene methacrylateChEBI
EthylenedimethyacrylateChEBI
Glycol dimethacrylateChEBI
Methacrylic acid ethylene esterChEBI
1,2-Ethanediol dimethacrylic acidGenerator
1,2-Ethanediyl 2-methyl-2-propenoic acidGenerator
2-(Methacryloyloxy)ethyl 2-methylacrylic acidGenerator
2-Methyl-2-propenoate 1,2-ethanediyl esterGenerator
Diglycol dimethacrylic acidGenerator
Ethanediol dimethacrylic acidGenerator
Ethyldiol metacrylic acidGenerator
Ethyldiol methacrylic acidGenerator
Ethylene dimethacrylic acidGenerator
Ethylene glycol bis(methacrylic acid)Generator
Ethylene methacrylic acidGenerator
Ethylenedimethyacrylic acidGenerator
Glycol dimethacrylic acidGenerator
Methacrylate ethylene esterGenerator
Ethylene glycol dimethacrylic acidGenerator
2-(2-Methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoic acidGenerator
EGDMA CPDMeSH
Ethylene glycol dimethacrylateMeSH
Ethyleneglycol dimethacrylateMeSH
Chemical FormulaC10H14O4
Average Molecular Mass198.218 g/mol
Monoisotopic Mass198.089 g/mol
CAS Registry Number97-90-5
IUPAC Name2-[(2-methylprop-2-enoyl)oxy]ethyl 2-methylprop-2-enoate
Traditional Nameglycol dimethacrylate
SMILESCC(=C)C(=O)OCCOC(=O)C(C)=C
InChI IdentifierInChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3
InChI KeySTVZJERGLQHEKB-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Dicarboxylic acid or derivatives
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Carboxylic acid ester
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.61 g/LALOGPS
logP1.74ALOGPS
logP2.44ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)-6.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity50.87 m³·mol⁻¹ChemAxon
Polarizability21.03 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-9000000000-496487dd243d132b2667Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-2900000000-161dc68e22bce4ea2dabSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01oy-7900000000-c2cebde2dac0466f8168Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-25c12930b3f18e3f2b0dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000b-7900000000-cc2660ab16e7273486fdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000j-7900000000-e98dd8cef25111ee0328Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-9000000000-9c1adc96e8c1ed5a571cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014j-9700000000-828b8b4f074fcc681a7aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-0f726c520cbe4481dae7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-1b12a95b92259befc029Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9400000000-415402ef3be84338a74bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-7d4366140ad67f169038Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000l-9000000000-9effea637e536b5a860cSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0252072
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkEthylene_glycol_dimethacrylate
Chemspider ID7077
ChEBI ID53436
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10444249
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11714252
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=19091218
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=23161346
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=23180752
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=23229725
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=23246931
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=23350065
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=23351340
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=23360228
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=23390113
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=23465129
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=23481473
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=23544352
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=23560989
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=23561202
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=23602644
18. https://www.ncbi.nlm.nih.gov/pubmed/?term=23640909
19. https://www.ncbi.nlm.nih.gov/pubmed/?term=23726080
20. https://www.ncbi.nlm.nih.gov/pubmed/?term=23780342