Methacrolein

HCID 6562CAS 78-85-3

Grundinformationen

Standard-SMILES
C=C(C)C=O
InChIKey
STNJBCKSHOAVAJ-UHFFFAOYSA-N
Summenformel
C4H6O
Durchschnittliche Molmasse
70,09 g/mol
Monoisotopische Masse
70,04186481

Überblick

Methacrylaldehyde appears as a colorless liquid. Less dense than water. May be toxic by ingestion, inhalation and skin absorption. Severely irritating to skin and eyes. Used to make plastics.

Namen und Bezeichner

Bevorzugter Name
Methacrolein
IUPAC
2-methylprop-2-enal
Englischer Name
2-Methylacrolein
Summenformel
C4H6O
Molmasse
70.08984

Namen und Synonyme

METHACROLEINMethacrylaldehyde78-85-32-Methyl-2-propenal2-Methylacrolein2-Methylprop-2-enalIsobutenal2-Propenal, 2-methyl-2-Methylpropenal2-MethylenepropanalMethylacrylaldehydeAcrolein, 2-methyl-
Weitere Namen anzeigen
Methacrylic aldehydealpha-MethylacroleinMethakrylaldehydDTXSID00525409HRB24892HNSC-82602-FORMYL-1-PROPENEmethylacrolein

Datenbank-Bezeichner

CAS
78-85-3
PubChem CID
6562
DTXSID
DTXSID0052540
ChEMBL
CHEMBL4063095
ChEBI
CHEBI:88384
UNII
9HRB24892H
EC Number
201-150-1
Nikkaji
J1.484B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Aldehydes

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
Density · 3 Einträge

0.849 @ 25 °C/4 °C

Relative density (water = 1): 0.8

0.830 @ 20°C

Viscosity · 2 Einträge

0.49 mPa.s @ 20 °C

0.59 mm²/s at 20 °C

Color/FormCOLORLESS LIQUID
Solubility · 3 Einträge

MISCIBLE WITH WATER, ETHANOL, ETHER

Water solubility = 5.9% (59,000 mg/L) at 20 °C

Solubility in water, g/100ml at 20 °C: 6 (soluble)

Physikochemische Eigenschaften

Schmelzpunkt
-81 °C · -81 °C
Siedepunkt
68.4 °C · 68.4 °C
Dichte
0.849 g/cm3 · 0.849 g/cm3(Temp: 25 °C)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225 (93.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Propenal, 2-methyl-

Status: Active Update: 31-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23318

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Poison
Fire Hazards · 3 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Vapour/air mixtures are explosive.

Fire PotentialFIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT, FLAME OR OXIDIZERS. ...CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.
Health Hazards · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.

Hazards Summary · 1 Eintrag

Like acrolein (VP= 274; LC50 (mouse) = 66 ppm; LCLo (human) = 5.5 ppm), methacrolein (VP = 154; LCLo (mouse) = 125 ppm) is a skin and respiratory tract irritant with the potential to cause acute lung injury; [HSDB] Methacrylaldehyde, stabilized (UN2396) has warning of explosive polymerization; [ERG 2016]

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 Einträge

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

General First Aid:

Safe StorageFireproof. Separated from strong oxidants, acids, bases and food and feedstuffs. Cooled. Keep in the dark. Well closed. Keep under inert gas. Store only if stabilized. Provision to contain effluent from fire extinguishing.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Toxikologische Informationen

Body BurdenMethacrolein has been qualitatively detected in one out of 12 samples of human adipose tissue from a 0-14 age group in the Southern Region(1).
Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 11.3(SRC), determined from an experimental water solubility(2) and a recommended regression-derived equation(3), indicates that methacrolein will have very high mobility in soil(SRC). Volatilization of methacrolein may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 2.86X10-4 atm-cu m/mole, calculated from experimental values of vapor pressure(4) and water solubility(2), and from dry soil surfaces(SRC) based on an experimental vapor pressure of 155 mm Hg(4). Insufficient data are available to determine the rate or importance of biodegradation of methacrolein in soil(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 11.3(SRC), determined from an experimental water solubility(2) and a recommended regression-derived equation(3), indicates that methacrolein may not adsorb to suspended solids and sediment(SRC) in the water. Methacrolein may volatilize from water surfaces based on an estimated Henry's Law constant of 2.86X10-4 atm-cu m/mole(SRC), calculated from experimental values of vapor pressure(4) and water solubility(2). Estimated half-lives for a model river and model lake are 5 hours and 4 days, respectively(3,SRC). An estimated BCF value of 1.4(3,SRC), from an experimental water solubility(2), suggests that methacrolein will not bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(5). Insufficient data are available to determine the rate or importance of biodegradation of methacrolein in water(SRC).

ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 155 mm Hg at 25 °C(2) indicates that methacrolein will exist in the vapor phase in the ambient atmosphere. Vapor-phase methacrolein is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 11.5 hours(3,SRC). Vapor-phase methacrolein is also degraded in the atmosphere by reaction with ozone(SRC); the half-life for this reaction in air is estimated to be about 10.5 days(4,SRC). Methacrolein reacts very quickly in air with oxygen forming peroxides and acids(5). Methacrolein is formed from the gas-phase reaction of ozone with isoprene with a formation yield of 0.387(6).

Food Survey ValuesMethacrolein has been qualitatively detected as a volatile component of Chickpea (Cicer arietinum L) seed(1).
Adverse EffectsToxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.
Plant ConcentrationsMethacrolein is emitted from Bay-leaved Willow, Aspen, Balsam poplar, European oak, Scots pine, and European larch(1).

Regulatorische Informationen

TSCA Requirements · 2 Einträge

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 2-methyl-2-propenal is included on this list.

FIFRA Requirements//fifr-a//

Sicherheitsdaten

ridadr
UN 2396
hazard_class
3
packing_group
II

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 2 Einträge

Aldehydes are readily oxidized to organic acids, which, in turn, can serve as substrates for fatty acid oxidation pathways and the Krebs cycle. ... Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/

... The detoxification of aldehydes can be seen to proceed basically via two routes: (1) an oxidation to yield readily metabolized acids; (2) inactivation by reaction with sulfhydryl groups, particularly glutathione. Under conditions that either deplete glutathione levels, or that result in an inhibition of aldehyde dehydrogenase (for example, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed. /Aldehydes/

Verwendung und Herstellung

Uses · 4 Einträge

Used as a chemical intermediate and a monomer to produce resins; [HSDB]

CHEMICAL INTERMEDIATE; COMONOMER IN RESIN PRODN

Copolymers, resins.

As an intermediate in the production of methacrylonitrile or methacrylic acid.

Methods of Manufacturing · 2 Einträge

CATALYTIC OXIDATION OF ISOBUTYLENE

Cross-condensation of propionaldehyde and formaldehyde or the dehydrogenation of isobutyraldehyde.

Formulations/PreparationsShipped with 0.1% hydroquinone, as polymerization inhibitor
General Manufacturing Information · 2 Einträge

2-Propenal, 2-methyl-: ACTIVE

Development of more productive catalysts for propylene oxidation, which were not advantages for isobutylene oxidation, and failure of growth in the commercial use of methacrolein contributed to the discontinuance of the manufacture of methacrolein.

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