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Merck
CN

275212

Crotonaldehyde, predominantly trans

98%

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About This Item

Linear Formula:
CH3CH=CHCHO
CAS Number:
123-73-9
Molecular Weight:
70.09
UNSPSC Code:
12352100
PubChem Substance ID:
24856634
EC Number:
204-647-1
MDL number:
MFCD00007003

Key Documents

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InChI key

MLUCVPSAIODCQM-NSCUHMNNSA-N

InChI

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

SMILES string

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

vapor density

2.41 (vs air)

vapor pressure

32 mmHg ( 20 °C)

assay

98%

autoignition temp.

320 °F

expl. lim.

19.5 %

refractive index

n20/D 1.4362 (lit.)

bp

104 °C (lit.)

mp

−76 °C (lit.)

density

0.846 g/mL at 25 °C (lit.)

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

48.2 °F - closed cup

flash_point_c

9 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
03310AJ
10208PH
S44751
15230TD
12008LC

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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
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
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
Organocatalytic asymmetric inverse-electron-demand Diels-Alder reaction of electron-deficient dienes and crotonaldehyde.
Jun-Long Li et al.
Angewandte Chemie (International ed. in English), 49(36), 6418-6420 (2010-07-31)
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