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3,4-Dihydro-2H-pyran-2-carbaldehyd

Acrolein dimer

HCID 60994
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Grundinformationen

CAS
100-73-2
Standard-SMILES
O=CC1CCC=CO1
InChIKey
NPWYTMFWRRIFLK-UHFFFAOYSA-N
Summenformel
C6H8O2
Durchschnittliche Molmasse
112,13 g/mol
Monoisotopische Masse
112,0524295

Überblick

Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.

Namen und Bezeichner

Bevorzugter Name
Acrolein dimer
IUPAC
3,4-dihydro-2H-pyran-2-carbaldehyde
Lokaler Name
3,4-Dihydro-2H-pyran-2-carbaldehyd
Englischer Name
2-Formyl-3,4-dihydro-2H-pyran
Summenformel
C6H8O2
Molmasse
112.13

Namen und Synonyme

3,4-Dihydro-2H-pyran-2-carbaldehydeAcrolein dimer2-Propenal dimer3,4-Dihydro-2H-pyran-2-carboxaldehyde2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO-NSC 954132,3-Dihydro-1,4-pyran-2-karboxaldehydEINECS 202-884-549SA3RBS5HUN2607BRN 0107244NSC-95413
Weitere Namen anzeigen
MT-A4AcroleindimerPyranaldehyde2,6-epoxy-5-hexena2,6-epoxy-5-Hexenalacrylaldehyde dimer5-Hexenal, 2,6-epoxy-2-formyl-2,3-dihydropyran
Acrolein dimer, stabilized2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech]UNII-49SA3RBS5HUN 2607 (Salt/Mix)DTXSID302741515-17-09-00131 (Beilstein Handbook Reference)3,4-Dihydro-2-carboxaldehyde-2H-pyranACROLEIN DIMER, (STABILIZED)

Datenbank-Bezeichner

CAS
100-73-2

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
0,7
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
8
Formalladung
0
Komplexität
107

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Other Organic Compounds

Flammable agents - 2nd degree

Flash Point118 °F (NFPA, 2010)
Physical Description · 2 Einträge

Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.

Colorless or yellow liquid with a pungent unpleasant odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-99.9 °C · -99.9°C
Siedepunkt
146 °C · 146 °C(lit.)
Dichte
1.08 g/mL · 1.08 g/mL at 25 °C
Brechungsindex
20 · n20/D 1.466(lit.)
Flammpunkt
54 °C · 54 °C
LogP

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: HSNO Approval: HSR001240 Approved with controls

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
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

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

Health Hazards · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 Eintrag

A mild skin irritant; Causes respiratory depression and lung changes in inhalation lethal-concentration studies of rats; Causes changes in bladder weight, changes in platelet count, and effects on other proteins in 9-day intermittent inhalation studies of rats; [RTECS] May cause eye and mucous membrane irritation; [CAMEO] May polymerize; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; Inhalation of high concentrations may cause weakness, dizziness, and unconsciousness; [Sigma-Aldrich MSDS] Acrolein dimer, stabilized (UN2607) has warning of explosive polymerization; [ERG 2016]

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make other chemicals and plastics; [CAMEO]
General Manufacturing Information2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: ACTIVE

Anwendungen

VerwendenNSC 95413 is used as a reagent in chemical processes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2H-Pyran-2-carboxylic acid, 3,4-dihydro-, methyl ester(3,4-Dihydro-2H-pyran-2-yl)methyl-3,4-dihydro-2H-pyran-2-carboxylatEthanone, 1-(3,4-dihydro-2H-pyran-2-yl)-2H-Pyran-2-carboxaldehyde, 3,4-dihydro-6-methyl-2-butoxy-3,4-dihydro -2H-pyranEthanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-3,4-Dihydro-2H-pyran-2-methanol1-EthoxypropenButylvinyletherButenonMethylacrylaldehyd

Zugehörige Reaktionen

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HRID 177499als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 442025
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HRID 846540als Eduktuspto-grants-1992_08
Reaktionsgleichung von HRID 1248522
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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Neue NotizNeue ReaktionAnfrage stellen
PubChem CID
60994
DTXSID
DTXSID30274151
UNII
49SA3RBS5H
EC Number
202-884-5
Nikkaji
J21.552J
-0.388 · -0.388 (est)
CAS Datenbank
100 · 100-73-2(CAS DataBase Reference)
NIST chemische Informationen
Acrolein dimer(100-73-2)
EPA chemische Informationen
2 H-Pyran-2-carboxaldehyde, · 2H-Pyran-2-carboxaldehyde, 3,4-dihydro- (100-73-2)
DOT ID and Guide2607 129P
Reactive GroupAldehydes
Reactivity AlertsPolymerizable
Reactivity Profile · 1 Eintrag

Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

DOT Hazard Classification · 4 Einträge

Acrolein dimer, stabilized

UN2607

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG III: the degree of danger presented by the material is minor

Air and Water ReactionsFlammable. Soluble in water.
Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (100%)

Flammable agents - 2nd degree, Reactive agents - 1st degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
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 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = 3,225 ppm/4hr

Sicherheitsdaten

tsca
TSCA listed
ridadr
UN 2607
hs_code
2932999099
RTECS-Nr.
UP6825000
risk_code
10-20/21/22-36/37/38-41
hazard_code
Xn
safety_code
16-26-33-36/37/39-45
hazard_class
3
packing_group
III
acrylic acid methyl ester
2-Propenal

Nachgelagerte Produkte

2H-Pyran-2-carboxaldehyde, tetrahydro-