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262668

Sigma-Aldrich

Crotonaldehyde, predominantly trans

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

Sinónimos:

(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

Fórmula lineal:
CH3CH=CHCHO
Número de CAS:
123-73-9
Peso molecular:
70.09
Número MDL:
MFCD00007003
Código UNSPSC:
12352100
ID de la sustancia en PubChem:
24855882
NACRES:
NA.22
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densidad de vapor

2.41 (vs air)

Nivel de calidad

200

presión de vapor

32 mmHg ( 20 °C)

Ensayo

≥99%

Formulario

liquid

temp. de autoignición

320 °F

contiene

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

lim. expl.

19.5 %

índice de refracción

n20/D 1.4362 (lit.)

bp

104 °C (lit.)

mp

−76 °C (lit.)

solubilidad

water: soluble 425.4 g/L at 20 °C

densidad

0.846 g/mL at 25 °C (lit.)

grupo funcional

aldehyde

temp. de almacenamiento

2-8°C

cadena SMILES

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

InChI

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

Clave InChI

MLUCVPSAIODCQM-NSCUHMNNSA-N

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Descripción general

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

Aplicación

  • 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).

Palabra de señalización

Danger

Clasificaciones de peligro

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

Órganos de actuación

Respiratory system

Código de clase de almacenamiento

3 - Flammable liquids

Clase de riesgo para el agua (WGK)

WGK 3

Punto de inflamabilidad (°F)

48.2 °F - closed cup

Punto de inflamabilidad (°C)

9 °C - closed cup

Equipo de protección personal

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

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Certificados de análisis (COA)

Lot/Batch Number
BCCM6770
BCCM6769
BCCM0229
BCCM0228
BCCM0230

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2-Ethylbutyraldehyde ≥92%

Sigma-Aldrich

110094

2-Ethylbutyraldehyde

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)
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
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
Giorgia Volpi et al.
British journal of pharmacology, 163(3), 649-661 (2011-02-11)
Vascular endothelial growth factor (VEGF) is an angiogenic factor known to be elevated in the sputum of asymptomatic smokers as well as smokers with bronchitis type of chronic obstructive pulmonary disease. The aim of this study was to investigate whether
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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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