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Merck

262668

Sigma-Aldrich

Crotonaldehyd, vorwiegend trans

≥99%, contains 0.1-0.2% BHT as stabilizer, 1% H2O as stabilizer

Synonym(e):

(2E)-2-Butenal, (E)-But-2-en-1-al, 2(E)-Butenal, trans-2-Buten-1-al, trans-2-Butenal, trans-Crotonal

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About This Item

Lineare Formel:
CH3CH=CHCHO
CAS-Nummer:
Molekulargewicht:
70.09
MDL-Nummer:
UNSPSC-Code:
12352100
PubChem Substanz-ID:
NACRES:
NA.22

Dampfdichte

2.41 (vs air)

Qualitätsniveau

Dampfdruck

32 mmHg ( 20 °C)

Assay

≥99%

Form

liquid

Selbstzündungstemp.

320 °F

Enthält

0.1-0.2% BHT as stabilizer
1% H2O as stabilizer

Expl.-Gr.

19.5 %

Brechungsindex

n20/D 1.4362 (lit.)

bp

104 °C (lit.)

mp (Schmelzpunkt)

−76 °C (lit.)

Löslichkeit

water: soluble 425.4 g/L at 20 °C

Dichte

0.846 g/mL at 25 °C (lit.)

Lagertemp.

2-8°C

SMILES String

[H]\C(C)=C(\[H])C([H])=O

InChI

1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

InChIKey

MLUCVPSAIODCQM-NSCUHMNNSA-N

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Allgemeine Beschreibung

Rate coefficients for the reaction of crotonaldehyde with chlorine atoms have been determined. Reaction of crotonaldehyde with DNA has been investigated.

Anwendung

  • Crotonaldehyde (Cis and Trans): Discusses the production and properties of crotonaldehyde, including trans isomer, via aldol condensation of acetaldehyde and catalytic methods (Grant & Jenkins, 2015).
  • Modeling, simulation and analysis of a process for the production of crotonaldehyde: Analyzes the production of crotonaldehyde, highlighting the stereoisomeric forms, including trans-crotonaldehyde (Scheithauer et al., 2016).

Signalwort

Danger

Gefahreneinstufungen

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Eye Dam. 1 - Flam. Liq. 2 - Muta. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

Zielorgane

Respiratory system

Lagerklassenschlüssel

3 - Flammable liquids

WGK

WGK 3

Flammpunkt (°F)

48.2 °F - closed cup

Flammpunkt (°C)

9 °C - closed cup

Persönliche Schutzausrüstung

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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F L Chung et al.
Cancer research, 44(3), 990-995 (1984-03-01)
Acrolein reacted with deoxyguanosine at pH 7 and 37 degrees to give three major products, Adducts 1 to 3, which were separated by high-performance liquid chromatography. They were identified by their ultraviolet, mass, and nuclear magnetic resonance spectra, by the
Reactions of acrolein, crotonaldehyde and pivalaldehyde with Cl atoms: structure-activity relationship and comparison with OH and NO3 reactions.
Ullerstam M, et al.
Physical Chemistry Chemical Physics, 3(6), 986-992 (2001)
Seung Eun Lee et al.
Toxicology letters, 201(3), 240-248 (2011-01-18)
Crotonaldehyde, a highly reactive α, β-unsaturated aldehyde, is a ubiquitous environmental pollutant and a product of endogenous lipid peroxidation. It is also a major component of cigarette smoke and is present in many foods and beverages, and has also been
Thomas W Kensler et al.
Carcinogenesis, 33(1), 101-107 (2011-11-03)
Epidemiological evidence has suggested that consumption of a diet rich in cruciferous vegetables reduces the risk of several types of cancers and chronic degenerative diseases. In particular, broccoli sprouts are a convenient and rich source of the glucosinolate, glucoraphanin, which
Eşref Demir et al.
Mutation research, 726(2), 98-103 (2011-07-19)
Lipid-peroxidation products are formed by the thermal treatment of foodstuffs, as well as by endogenous processes. In addition, they are also common environmental pollutants originating from many different sources. Since conflicting data exist on their possible risk for humans, we

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