acrylaldehyde, methyl-
None found
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      M0078 Methacrolein (stabilized with HQ) >90.0%(GC)
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CAS Number: 78-85-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 201-150-1
Nikkaji Web: J1.484B
Beilstein Number: 1209258
MDL: MFCD00006974
XlogP3-AA: 0.70 (est)
Molecular Weight: 70.09102000
Formula: C4 H6 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84000 to 0.85800 @  20.00 °C.
Pounds per Gallon - (est).: 6.998 to  7.148
Refractive Index: 1.41200 to 1.41900 @  20.00 °C.
Melting Point: -81.00 °C. @ 760.00 mm Hg
Boiling Point: 68.40 °C. @ 760.00 mm Hg
Boiling Point: 67.00 to  68.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 155.000000 mmHg @ 25.00 °C.
Vapor Density: 2.4 ( Air = 1 )
Flash Point: 35.00 °F. TCC ( 1.67 °C. )
logP (o/w): 0.681 (est)
Soluble in:
 water, 5.00E+04mg/L @ 20 °C (exp)
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Organoleptic Properties:
Odor Type: floral
Odor Strength: very high ,
recommend smelling in a 0.01 % solution or less
 hyacinth  foliage  green  
Odor Description:
at 0.01 % in dipropylene glycol. 
wild hyacinth foliage
Odor and/or flavor descriptions from others (if found).
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Cosmetic Information:
None found
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Sigma-Aldrich: Aldrich
For experimental / research use only.
Methacrolein 95%
For experimental / research use only.
Methacrolein (stabilized with HQ) >90.0%(GC)
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Safety Information:
Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  140 mg/kg
Union Carbide Data Sheet. Vol. 7/21/1965

Dermal Toxicity:
skin-rabbit LD50 430 ul/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Inhalation Toxicity:
inhalation-rat LCLo 125 ppm/4H
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

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Safety in Use Information:
Category: natural substances and extractives
Recommendation for methacrolein usage levels up to:
 not for fragrance use.
Recommendation for methacrolein flavor usage levels up to:
 not for flavor use.
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Safety References:
European Food Safety Authority (EFSA) reference(s):
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1]
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19.
View page or View pdf
EPI System: View
NIOSH International Chemical Safety Cards: search
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 78-85-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6562
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
Chemidplus: 0000078853
EPA/NOAA CAMEO: hazardous materials
RTECS: 78-85-3
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NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 78-85-3
Pubchem (cid): 6562
Pubchem (sid): 134971081
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2912.19.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
shipped with 0.1% hydroquinone, as polymerization inhibitor
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Potential Blenders and core components note
None Found
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 strawberry fruit
Search Trop  Picture
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 acrolein, 2-methyl-
 acrylaldehyde, methyl-
 methacryl aldehyde
 methacrylaldehyde, inhibited [UN2396] [Flammable liquid]
 methacrylic aldehyde
 methyl acrolein
2-methyl acrolein
alpha-methyl acrolein
 methyl acryl aldehyde
2-methyl propenal
2-methylene propanal
2-propenal, 2-methyl-
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Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
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PubMed: Application of chemical vapor generation systems to deliver constant gas concentrations for in vitro exposure to volatile organic compounds.
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PubMed: OH-Initiated Photooxidations of 1-Pentene and 2-Methyl-2-propen-1-ol: Mechanism and Yields of the Primary Carbonyl Products.
PubMed: Hydrogen peroxide enhances the oxidation of oxygenated volatile organic compounds on mineral dust particles: a case study of methacrolein.
PubMed: Ethanol, isobutanol, and biohydrocarbons as gasoline components in relation to gaseous emissions and particulate matter.
PubMed: Atmospheric reaction of Cl + methacrolein: a theoretical study on the mechanism, and pressure- and temperature-dependent rate constants.
PubMed: Enantioselective ruthenium-catalyzed 1,3-dipolar cycloadditions between C-carboalkoxy ketonitrones and methacrolein: solvent effect on reaction selectivity and its rational.
PubMed: Atmospheric aqueous phase radical chemistry of the isoprene oxidation products methacrolein, methyl vinyl ketone, methacrylic acid and acrylic acid--kinetics and product studies.
PubMed: Emissions of putative isoprene oxidation products from mango branches under abiotic stress.
PubMed: Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.
PubMed: Epoxide as a precursor to secondary organic aerosol formation from isoprene photooxidation in the presence of nitrogen oxides.
PubMed: Formation of dimethylketene and methacrolein by reaction of the CH radical with acetone.
PubMed: Quantum chemical study of Diels-Alder reactions catalyzed by Lewis acid activated oxazaborolidines.
PubMed: Sulfate radical-initiated formation of isoprene-derived organosulfates in atmospheric aerosols.
PubMed: Investigating the impact of aqueous-phase chemistry and wet deposition on organic aerosol formation using a molecular surrogate modeling approach.
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PubMed: Scanning tunneling microscopy study of nano-structured polyatom-substituted H4PW11M1O40 Keggin and H7P2W17M1O62 (M = Nb, Ta) Wells-Dawson heteropolyacid catalysts.
PubMed: Reaction of methacrolein with the hydroxyl radical in air: incorporation of secondary O2 addition into the MACR + OH master equation.
PubMed: Branching ratios for the reaction of selected carbonyl-containing peroxy radicals with hydroperoxy radicals.
PubMed: Atmospheric fate of methacrolein. 2. Formation of lactone and implications for organic aerosol production.
PubMed: Atmospheric fate of methacrolein. 1. Peroxy radical isomerization following addition of OH and O2.
PubMed: Measurements of secondary organic aerosol formed from OH-initiated photo-oxidation of isoprene using online photoionization aerosol mass spectrometry.
PubMed: New types of reactivity of α,β-unsaturated N,N-dimethylhydrazones: chemodivergent diastereoselective synthesis of functionalized tetrahydroquinolines and hexahydropyrrolo[3,2-b]indoles.
PubMed: Mukaiyama-Michael reactions with acrolein and methacrolein: a catalytic enantioselective synthesis of the C17-C28 fragment of pectenotoxins.
PubMed: The overall reaction process of ozone with methacrolein and isoprene in the condensed phase.
PubMed: A VUV photoionization mass spectrometric study on the OH-initiated photooxidation of isoprene with synchrotron radiation.
PubMed: Direct detection of isoprene photooxidation products by using synchrotron radiation photoionization mass spectrometry.
PubMed: Uptake of methacrolein into aqueous solutions of sulfuric acid and hydrogen peroxide.
PubMed: Nanostructured H(3+x)PW(12-x)NbxO40 (x = 0-3) Keggin heteropolyacid catalysts.
PubMed: Denuder sampling techniques for the determination of gas-phase carbonyl compounds: a comparison and characterisation of in situ and ex situ derivatisation methods.
PubMed: [Level and characteristics of indoor air pollutants in a furniture mall in Beijing].
PubMed: Radical dependence of the yields of methacrolein and methyl vinyl ketone from the OH-initiated oxidation of isoprene under NO(x)-free conditions.
PubMed: Quantitative determination of biogenic volatile organic compounds in the atmosphere using proton-transfer reaction linear ion trap mass spectrometry.
PubMed: Uptake of methacrolein and methyl vinyl ketone by tree saplings and implications for forest atmosphere.
PubMed: Quantum chemical study of the acrolein (CH2CHCHO) + OH + O2 reactions.
PubMed: Kinetics and mechanism of the reaction of methacrolein with chlorine atoms in 1-950 Torr of N2 or N2/O2 diluent at 297 K.
PubMed: Aluminium complexes derived from tridentate thioetherbis(phenolate) ligands and their activity in Diels-Alder catalysis.
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PubMed: Heterogeneous reactions of methacrolein and methyl vinyl ketone on α-Al2O3 particles.
PubMed: Chemical composition and size distribution of secondary organic aerosol formed from the photooxidation of isoprene.
PubMed: Reactive intermediates revealed in secondary organic aerosol formation from isoprene.
PubMed: Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes.
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PubMed: Kinetics of the gas-phase reactions of OH and NO(3) radicals and O(3) with allyl alcohol and allyl isocyanate.
PubMed: [Contribution of isoprene emitted from vegetable to atmospheric formaldehyde in the ambient air of Beijing city].
PubMed: Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro.
PubMed: [Heterogeneous reactions on the surface of atmospheric particles: a transmission FTIR spectroscopy study].
PubMed: Development of a proton-transfer reaction-linear ion trap mass spectrometer for quantitative determination of volatile organic compounds.
PubMed: Volatile aldehydes in the mainstream smoke of the narghile waterpipe.
PubMed: 6,6'-Substituent effect of BINOL in bis-titanium chiral Lewis acid catalyzed 1,3-dipolar cycloaddition of nitrones.
PubMed: Chiral pyridylamino-ruthenium(II) complexes: synthesis, structure and catalytic properties in Diels-Alder reactions.
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PubMed: Substituent effects on dynamics at conical intersections: alpha,beta-enones.
PubMed: Asymmetric 1,3-dipolar cycloadditions of nitrones and methacrolein catalyzed by chiral bis-titanium lewis acid: a dramatic effect of N-substituent on nitrone.
PubMed: Pentamethylcyclopentadienyl-iridium(III) complexes with pyridylamino ligands: synthesis and applications as asymmetric catalysts for Diels-Alder reactions.
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PubMed: Overall rate constant measurements of the reaction of hydroxy- and chloroalkylperoxy radicals derived from methacrolein and methyl vinyl ketone with nitric oxide.
PubMed: Conformational preferences of methacrolein in Diels-Alder and 1,3-dipolar cycloaddition reactions.
PubMed: Catalytic enantioselective Diels-Alder reaction in ionic liquid via a recyclable chiral In(III) complex.
PubMed: Methyl vinyl ketone+OH and methacrolein+OH oxidation reactions: a master equation analysis of the pressure- and temperature-dependent rate constants.
PubMed: Chemical composition of secondary organic aerosol formed from the photooxidation of isoprene.
PubMed: Ruthenium complexes of thiocinnamaldehydes: synthesis, structure, and [4+2]-cycloaddition reactions.
PubMed: Stereoselective alkylation of alpha,beta-unsaturated imines via C-H bond activation.
PubMed: A sensitive method for the quantification of acrolein and other volatile carbonyls in ambient air.
PubMed: The uptake of methyl vinyl ketone, methacrolein, and 2-methyl-3-butene-2-ol onto sulfuric acid solutions.
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PubMed: Differentiation of isobaric compounds using chemical ionization reaction mass spectrometry.
PubMed: Enantioselective 1,3-dipolar cycloaddition of nitrones to methacrolein catalyzed by (eta5-C5Me5)M{(R)-prophos} containing complexes (M = Rh, Ir; (R)-prophos = 1,2-bis(diphenylphosphino)propane): on the origin of the enantioselectivity.
PubMed: [Ozonolysis of methacrolein and methyl vinyl ketone in aqueous solutions].
PubMed: Pressure dependence in the methyl vinyl ketone + OH and methacrolein + OH oxidation reactions: an electronic structure study.
PubMed: Oxidative coupling of benzenes with alpha,beta-unsaturated aldehydes by the Pd(OAc)2/molybdovanadophosphoric acid/O2 system.
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PubMed: Monitoring OH-initiated oxidation kinetics of isoprene and its products using online mass spectrometry.
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PubMed: The complete characterization of a rhodium Lewis acid-dipolarophile complex as an intermediate for the enantioselective catalytic 1,3-dipolar cycloaddition of C,N-diphenylnitrone to methacrolein.
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