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262668

Sigma-Aldrich

Crotonaldehyde, predominantly trans

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

Synonyme(s) :

(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

Formule linéaire :
CH3CH=CHCHO
Numéro CAS:
Poids moléculaire :
70.09
Numéro MDL:
Code UNSPSC :
12352100
ID de substance PubChem :
Nomenclature NACRES :
NA.22
Le tarif et la disponibilité ne sont pas disponibles actuellement.

Densité de vapeur

2.41 (vs air)

Niveau de qualité

Pression de vapeur

32 mmHg ( 20 °C)

Essai

≥99%

Forme

liquid

Température d'inflammation spontanée

320 °F

Contient

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

Limite d'explosivité

19.5 %

Indice de réfraction

n20/D 1.4362 (lit.)

pb

104 °C (lit.)

Pf

−76 °C (lit.)

Solubilité

water: soluble 425.4 g/L at 20 °C

Densité

0.846 g/mL at 25 °C (lit.)

Groupe fonctionnel

aldehyde

Température de stockage

2-8°C

Chaîne SMILES 

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

InChI

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

Clé InChI

MLUCVPSAIODCQM-NSCUHMNNSA-N

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Description générale

Rate coefficients for the reaction of crotonaldehyde with chlorine atoms have been determined[1]. Reaction of crotonaldehyde with DNA has been investigated[2].

Application

  • 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).

Mention d'avertissement

Danger

Classification des risques

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

Organes cibles

Respiratory system

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

48.2 °F - closed cup

Point d'éclair (°C)

9 °C - closed cup

Équipement de protection individuelle

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


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Les clients ont également consulté

Slide 1 of 1

1 of 1

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.
PloS one, 7(7), e41676-e41676 (2012-08-01)
Crotonaldehyde, an alpha, beta-unsaturated aldehyde present in cigarette smoke, is an environmental pollutant and a product of lipid peroxidation. It also produces adverse effects to humans and is considered as a risk factor for various diseases. Heme oxygenase-1 (HO-1) plays
Xing-Yu Liu et al.
Toxicology letters, 197(2), 113-122 (2010-05-18)
Crotonaldehyde is an environment pollutant and lipid peroxidation product. Crotonaldehyde produces adverse effects to humans and serves as a risk factor for human pulmonary diseases. Like acrolein and 4-hydroxynonenal, crotonaldehyde seems likely to alter many cell signaling cascades, including inflammatory
Xing-yu Liu et al.
Toxicology letters, 195(1), 90-98 (2010-02-16)
Crotonaldehyde is a widespread environmental pollutant and lipid peroxidation product. Crotonaldehyde is a risk factor for many diseases (e.g., chronic pulmonary inflammation). However, its toxicity and its mechanism of action have not been thoroughly investigated. The purpose of this study

Questions

  1. What does "predominantly trans" mean for product 262668? Is there any guidance available on the amount of trans compared to cis?

    1 answer
    1. In this case, the term "predominantly trans" is not specifically defined, but based on analysis of previous lots, it appears to be between 95% and 98% trans. While this cannot be guaranteed for future lots, historical data suggests this range. It could be a helpful estimation to consider.

      Helpful?

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