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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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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

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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