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262668

Sigma-Aldrich

Crotonaldehyde, predominantly trans

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

Synonym(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

Linear Formula:
CH3CH=CHCHO
CAS Number:
123-73-9
Molecular Weight:
70.09
MDL number:
MFCD00007003
UNSPSC Code:
12352100
PubChem Substance ID:
24855882
NACRES:
NA.22

vapor density

2.41 (vs air)

Quality Level

200

vapor pressure

32 mmHg ( 20 °C)

Assay

≥99%

form

liquid

autoignition temp.

320 °F

contains

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

expl. lim.

19.5 %

refractive index

n20/D 1.4362 (lit.)

bp

104 °C (lit.)

mp

−76 °C (lit.)

solubility

water: soluble 425.4 g/L at 20 °C

density

0.846 g/mL at 25 °C (lit.)

functional group

aldehyde

storage temp.

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+

InChI key

MLUCVPSAIODCQM-NSCUHMNNSA-N

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General description

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

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).

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

48.2 °F - closed cup

Flash Point(C)

9 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (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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