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262668

Sigma-Aldrich

Crotonaldehyde, predominantly trans

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

Sinônimo(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

Fórmula linear:
CH3CH=CHCHO
Número CAS:
123-73-9
Peso molecular:
70.09
Número MDL:
MFCD00007003
Código UNSPSC:
12352100
ID de substância PubChem:
24855882
NACRES:
NA.22

densidade de vapor

2.41 (vs air)

pressão de vapor

32 mmHg ( 20 °C)

Ensaio

≥99%

Formulário

liquid

temperatura de autoignição

320 °F

contém

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

Lim. expl.

19.5 %

índice de refração

n20/D 1.4362 (lit.)

p.e.

104 °C (lit.)

pf

−76 °C (lit.)

solubilidade

water: soluble 425.4 g/L at 20 °C

densidade

0.846 g/mL at 25 °C (lit.)

grupo funcional

aldehyde

temperatura de armazenamento

2-8°C

cadeia de caracteres SMILES

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

InChI

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

chave InChI

MLUCVPSAIODCQM-NSCUHMNNSA-N

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Descrição geral

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

Aplicação

  • 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).

Palavra indicadora

Danger

Classificações de perigo

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

Órgãos-alvo

Respiratory system

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

48.2 °F - closed cup

Ponto de fulgor (°C)

9 °C - closed cup

Equipamento de proteção individual

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

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Certificados de análise (COA)

Lot/Batch Number
BCCG9759
BCCG9313
BCCG4230
BCCG3826
BCCD8734

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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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