Methyl acrylate (CED0004680)

Record Information
Version1.0
Creation Date2016-05-22 03:49:00 UTC
Update Date2026-08-22 18:13:15 UTC
Accession NumberCHEM016951
Identification
Common NameMethyl acrylate
ClassSmall Molecule
Description
Methyl acrylate (C4H6O2) is an organic compound with an average molecular weight of 86.09 g/mol. Methyl acrylate belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, it serves as a flavouring and nutrient. The compound is used in the production of plastics, specifically in Acrylonitrile butadiene styrene, Low-Density Polyethylene, and High-Density Polyethylene. The compound is found in or released from 41 recorded sources. Within electrical and electronic equipment, it is associated with antennas, amplifiers, auxiliary devices, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 16 other sources. In building and construction, it is linked to ceilings, fencing, stairs and ramps, and sunshades awnings or outside screens. It is also found in drinking water and water supply. Regarding household cleaning and consumer products, sources include ash trays, bleaching agents, cigar cigarettes, non electric simulated smoking devices, and perfumes within detergents and soaps, along with three others. In the context of food, food processing, and cookware, it is associated with food contact materials, food preservation, the processing of fish, the preparation of malt, and fermentation processes for beer, among one other source. Recorded exposure routes for methyl acrylate include oral, inhalation, and touch.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Methyl acrylic acidGenerator
2-Propenoic acid, methyl esterHMDB
Acrylate de methyleHMDB
Acrylic acid methyl esterHMDB
Acrylic acid, methyl esterHMDB
CH2=chcooch3HMDB
Curithane 103HMDB
MethacrylateHMDB
MethoxycarbonylethyleneHMDB
Methyl 2-propenoateHMDB
Methyl acrylate, inhibitedHMDB
Methyl acrylate, monomerHMDB
Methyl ester acrylic acidHMDB
Methyl ester OF 2-propenoic acidHMDB
Methyl prop-2-enoateHMDB
Methyl propenateHMDB
Methyl propenoateHMDB
Methyl-acrylatHMDB
MethylacrylaatHMDB
MethylacrylateHMDB
Methylester kyseliny akryloveHMDB
MetilacrilatoHMDB
Chemical FormulaC4H6O2
Average Molecular Mass86.089 g/mol
Monoisotopic Mass86.037 g/mol
CAS Registry Number96-33-3
IUPAC Namemethyl prop-2-enoate
Traditional Namemethyl acrylate
SMILESCOC(=O)C=C
InChI IdentifierInChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InChI KeyBAPJBEWLBFYGME-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAcrylic acids and derivatives
Direct ParentAcrylic acid esters
Alternative Parents
Substituents
  • Acrylic acid ester
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Methyl ester
  • Carboxylic acid 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
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility64.2 g/LALOGPS
logP0.67ALOGPS
logP0.91ChemAxon
logS-0.13ALOGPS
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity22.06 m³·mol⁻¹ChemAxon
Polarizability8.49 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0a4i-9000000000-369a2d051131a7bcebfbNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a6r-9000000000-9c4b84fc68b2e0bb2cf1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9000000000-e696fac186759df178cbNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9000000000-0fb4f98d2839ab714433Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9000000000-369a2d051131a7bcebfbNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a6r-9000000000-9c4b84fc68b2e0bb2cf1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9000000000-e696fac186759df178cbNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9000000000-0fb4f98d2839ab714433Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-056r-9000000000-0a04d802cc1d0d092145Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-9000000000-26700fa0b0cc1ef9ac71Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-9000000000-4f0b53883a3c63c0c1b0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-446fec7696b712731704Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-c135071c33d8587df532Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f79-9000000000-29f94e0224b9b8c6bb77Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-9000000000-9f73a5d9dfd71243115cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-dc6fd85c31b3cd18f34dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-34ca0a63fa24408e0c45Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-033b227f9b35c5d4424dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-1ae9a8c0ae40e9051036Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-9000000000-946ed9e33faea9a54041Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0aor-9000000000-cdaf5ee1e39a36ad6902Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
272.0Log mg/kg[150:480]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
115Drinking waterDrinking water & water supplyNot Available
233BrushesPersonal care & cosmeticsNot Available
494Food contact materialsFood, food processing & cookwareNot Available
495CeilingsBuilding & ConstructionNot Available
496FencingBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
501Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
554Ash TraysHousehold cleaning & consumer productsNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
585Canoes And KayaksMarine, shipping & aquacultureNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
625Racing SportsRecreation & sports surfacesNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
632ApparelTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
634BucklesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)30.439
Succinate-semialdehyde dehydrogenase, mitochondrial structureClick to view 3D structureSuccinate-semialdehyde dehydrogenase, mitochondrialP51649HumansPredicted (SEA)8.48557
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)6.30579
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2844.84
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)3462.97
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)3147.52
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)2942.62
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)1971.53
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)180.688
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)3058.31
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)6944.62
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)4268.16
Hydroxycarboxylic acid receptor 2 structureClick to view 3D structureHydroxycarboxylic acid receptor 2Q8TDS4HumansPredicted (SEA)167.609
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)5048.68
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)3994.83
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)4931.28
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)1959.39
tRNA-dihydrouridine(20) synthase [NAD(P)+]-like structureClick to view 3D structuretRNA-dihydrouridine(20) synthase [NAD(P)+]-likeQ9NX74HumansPredicted (SEA)641.633
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)813.057
Click to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 2P9WQD7Mycobacterium tuberculosisPredicted (SEA)1.08989
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)961.594
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)3574.76
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7019.43
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)7292.6
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)7180.81
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0033977
FooDB IDFDB012209
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMethyl acrylate
Chemspider ID7022
ChEBI IDNot Available
PubChem Compound ID7294
Kegg Compound IDC19443
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
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8. Zhao L, Xiang R, Ma R, Wang X, An Y, Shi L: Chiral conversion and memory of TPPS J-aggregates in complex micelles: PEG-b-PDMAEMA/TPPS. Langmuir. 2011 Sep 20;27(18):11554-9. doi: 10.1021/la201434r. Epub 2011 Aug 16.
9. Cook C, Liron F, Guinchard X, Roulland E: Study of the total synthesis of (-)-exiguolide. J Org Chem. 2012 Aug 17;77(16):6728-42. doi: 10.1021/jo301066p. Epub 2012 Aug 9.
10. Farrell RA, Kehagias N, Shaw MT, Reboud V, Zelsmann M, Holmes JD, Sotomayor Torres CM, Morris MA: Surface-directed dewetting of a block copolymer for fabricating highly uniform nanostructured microdroplets and concentric nanorings. ACS Nano. 2011 Feb 22;5(2):1073-85. doi: 10.1021/nn102720m. Epub 2011 Jan 12.
11. Vieira P, Banora MY, Castagnone-Sereno P, Rosso MN, Engler G, de Almeida Engler J: An immunocytochemical procedure for protein localization in various nematode life stages combined with plant tissues using methylacrylate-embedded specimens. Phytopathology. 2012 Oct;102(10):990-6. doi: 10.1094/PHYTO-02-12-0031-R.
12. Al-Issa SA: Synthesis of a new series of pyridine and fused pyridine derivatives. Molecules. 2012 Sep 11;17(9):10902-15. doi: 10.3390/molecules170910902.
13. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.