U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H6O
Molecular Weight 70.0898
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHACROLEIN

SMILES

CC(=C)C=O

InChI

InChIKey=STNJBCKSHOAVAJ-UHFFFAOYSA-N
InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

HIDE SMILES / InChI

Molecular Formula C4H6O
Molecular Weight 70.0898
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Quantitative determination of biogenic volatile organic compounds in the atmosphere using proton-transfer reaction linear ion trap mass spectrometry.
2010-10-01
Uptake of methacrolein and methyl vinyl ketone by tree saplings and implications for forest atmosphere.
2010-09-15
Sub-chronic lung inflammation after airway exposures to Bacillus thuringiensis biopesticides in mice.
2010-09-03
Quantum chemical study of the acrolein (CH2CHCHO) + OH + O2 reactions.
2010-08-19
Kinetics and mechanism of the reaction of methacrolein with chlorine atoms in 1-950 Torr of N2 or N2/O2 diluent at 297 K.
2010-07-01
N-Methacryloyl-4-(piperidin-1-yl)-1,8-naphthalimide.
2010-05-29
Narghile (water pipe) smoking among university students in Jordan: prevalence, pattern and beliefs.
2010-05-24
Aluminium complexes derived from tridentate thioetherbis(phenolate) ligands and their activity in Diels-Alder catalysis.
2010-05-14
Heterogeneous reactions of methacrolein and methyl vinyl ketone on α-Al2O3 particles.
2010-03-15
Enantioselective synthesis of allylic alcohols via an oxazaborolidinium ion catalyzed Diels-Alder/Retro-Diels-Alder sequence.
2009-11-19
Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes.
2009-09-21
Identification of degraded products of aldicarb due to the catalytic behavior of titanium dioxide/polyacrylonitrile nanofiber.
2009-09-04
DFT study of the molecular mechanism of Lewis acid induced [4 + 3] cycloadditions of 2-alkylacroleins with cyclopentadiene.
2009-08-21
Hookah (Shisha, Narghile) Smoking and Environmental Tobacco Smoke (ETS). A critical review of the relevant literature and the public health consequences.
2009-02
Computational evaluation of enantioselective Diels-Alder reactions mediated by Corey's cationic oxazaborolidine catalysts.
2009-01-16
Chemical composition and size distribution of secondary organic aerosol formed from the photooxidation of isoprene.
2009
Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro.
2008-11-24
Development of a proton-transfer reaction-linear ion trap mass spectrometer for quantitative determination of volatile organic compounds.
2008-11-01
Volatile aldehydes in the mainstream smoke of the narghile waterpipe.
2008-11
[Heterogeneous reactions on the surface of atmospheric particles: a transmission FTIR spectroscopy study].
2008-08
6,6'-Substituent effect of BINOL in bis-titanium chiral Lewis acid catalyzed 1,3-dipolar cycloaddition of nitrones.
2008-07-07
Chiral pyridylamino-ruthenium(II) complexes: synthesis, structure and catalytic properties in Diels-Alder reactions.
2008-07-07
A direct route to fluostatin C by a fascinating Diels-Alder reaction.
2008-03-05
Asymmetric 1,3-dipolar cycloadditions of nitrones and methacrolein catalyzed by chiral bis-titanium lewis acid: a dramatic effect of N-substituent on nitrone.
2007-11-08
Pentamethylcyclopentadienyl-iridium(III) complexes with pyridylamino ligands: synthesis and applications as asymmetric catalysts for Diels-Alder reactions.
2007-05-21
Overall rate constant measurements of the reaction of hydroxy- and chloroalkylperoxy radicals derived from methacrolein and methyl vinyl ketone with nitric oxide.
2007-02-01
Conformational preferences of methacrolein in Diels-Alder and 1,3-dipolar cycloaddition reactions.
2006-12-22
Ozone's impact on public health: contributions from indoor exposures to ozone and products of ozone-initiated chemistry.
2006-10
Chemical composition of secondary organic aerosol formed from the photooxidation of isoprene.
2006-08-10
Theoretical study on the Diels-Alder reaction between 2-methylacrolein and cyclopentadiene catalyzed by a cationic oxazaborolidine Lewis acid.
2006-07-27
Ruthenium complexes of thiocinnamaldehydes: synthesis, structure, and [4+2]-cycloaddition reactions.
2006-06-14
Priming of plant defense responses in nature by airborne signaling between Artemisia tridentata and Nicotiana attenuata.
2006-06
Stereoselective alkylation of alpha,beta-unsaturated imines via C-H bond activation.
2006-05-03
A sensitive method for the quantification of acrolein and other volatile carbonyls in ambient air.
2006-04-01
The uptake of methyl vinyl ketone, methacrolein, and 2-methyl-3-butene-2-ol onto sulfuric acid solutions.
2006-02-23
Quantitative determination of volatile organic compounds in indoor dust using gas chromatography-UV spectrometry.
2005-10
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.
2005-09-28
Pressure dependence in the methyl vinyl ketone + OH and methacrolein + OH oxidation reactions: an electronic structure study.
2005-08-12
Kinetics and products of the OH radical-initiated reaction of 3-methyl-2-butenal.
2005-06-07
Total synthesis of (+)-tubelactomicin A. 1. Stereoselective synthesis of the lower-half segment by an intramolecular Diels-Alder approach.
2005-05-26
Optimization of MoVSb oxide catalyst for partial oxidation of isobutane by combinatorial approaches.
2005-05-10
[Ozonolysis of methacrolein and methyl vinyl ketone in aqueous solutions].
2005-05
Measurements of biogenic hydrocarbons and carbonyl compounds emitted by trees from temperate warm Atlantic rainforest, Brazil.
2005-05
Simple diastereoselectivity of the BF3.OEt2-catalyzed vinylogous Mukaiyama aldol reaction of 2-(trimethylsiloxy)furans with aldehydes.
2005-04-29
The effect on human eye blink frequency of exposure to limonene oxidation products and methacrolein.
2005-04-10
Monitoring OH-initiated oxidation kinetics of isoprene and its products using online mass spectrometry.
2005-02-15
Differentiation of isobaric compounds using chemical ionization reaction mass spectrometry.
2005
Cp*Rh complexes with pyridyloxazolines: synthesis, fluxionality and applications as asymmetric catalysts for Diels-Alder reactions.
2004-11-07
Synthesis, conformational analysis, and cytotoxicity of conformationally constrained aplidine and tamandarin A analogues incorporating a spirolactam beta-turn mimetic.
2004-11-04
Effects of 1,3-butadiene, isoprene, and their photochemical degradation products on human lung cells.
2004-11
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:02:30 GMT 2025
Edited
by admin
on Mon Mar 31 20:02:30 GMT 2025
Record UNII
9HRB24892H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-8260
Preferred Name English
METHACROLEIN
HSDB  
Systematic Name English
METHACROLEIN [HSDB]
Common Name English
2-FORMYL-1-PROPENE
Systematic Name English
METHACRYLALDEHYDE
Systematic Name English
.ALPHA.-METHACROLEIN
Common Name English
.ALPHA.-METHYLACRYLALDEHYDE
Systematic Name English
METHACRYALDEHYDE
Common Name English
2-METHYL-2-PROPENAL
Systematic Name English
ACROLEIN, 2-METHYL-
Systematic Name English
2-METHYLACROLEIN
Systematic Name English
2-METHYLPROPENAL
Systematic Name English
ISOBUTENAL
Systematic Name English
.ALPHA.-METHYLACROLEIN
Common Name English
Code System Code Type Description
CAS
78-85-3
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
HSDB
182
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
FDA UNII
9HRB24892H
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
NSC
8260
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID0052540
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-150-1
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
PUBCHEM
6562
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY
WIKIPEDIA
METHACROLEIN
Created by admin on Mon Mar 31 20:02:30 GMT 2025 , Edited by admin on Mon Mar 31 20:02:30 GMT 2025
PRIMARY