But-2-enal

Base Information Edit

Chemical Name:But-2-enal
CAS No.:4170-30-3
Molecular Formula:C₄H₆O
Molecular Weight:70.091
Hs Code.:
DSSTox Substance ID:DTXSID8024864
Wikidata:Q60193372
ChEMBL ID:CHEMBL3561468
Mol file:4170-30-3.mol

Synonyms:Butenal;.beta.-Methylacrolein;2-buten-1-one;(2EZ)-crotonaldehyde;CHEMBL3561468;AKOS030228150;FT-0611626;Q60193372

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Chemical Property of But-2-enal Edit

Chemical Property:

Appearance/Colour:colourless liquid
Vapor Pressure:32 mm Hg ( 20 °C)
Melting Point:-76ºC
Refractive Index:n20/D 1.437
Boiling Point:104ºC
Flash Point:48 ºF
PSA：17.07000
Density:0.853 g/mL at 20 °C
LogP:0.76140
Storage Temp.:2-8°C
Sensitive.:Air Sensitive
Solubility.:Miscible with alcohol, benzene, gasoline, kerosene, solvent naphtha, and toluene (Hawley, 1981)
Water Solubility.:Soluble in water. (150g/L) at 20°C.
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:70.041864811
Heavy Atom Count:5
Complexity:45.6

Purity/Quality:

Safty Information:

Pictogram(s): An animal carcinogen. Irritating to eyes and skin. TLV: 2 ppm. Flammable, dangerous fire risk. Explosive limits in air 2.9–15.5% by volume.
Hazard Codes:F,T+,N
Statements: 11-24/25-26-37/38-41-48/22-50-68
Safety Statements: 26-28-36/37/39-45-61-16

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC=O
Description Crotonaldehyde is a clear, colorless to straw-colored liquid with a strong suffocating odor. It is highly flammable and produces toxic vapors at room temperature. Crotonaldehyde is found naturally in emissions of some vegetation and volcanoes; many foods contain crotonaldehyde in small amounts. Crotonaldehyde is an important environmental pollutant. It is formed during combustion of carbon-containing fuels and other materials. Lipari et al. calculated an emission of 140–2700 metric tons of crotonaldehyde per year in the United States due to burning of wood in fireplaces, based on the consumption of firewood. Concentrations of 0.02–17 mgm-3 were measured in automobile exhausts; however, surprisingly low concentrations of crotonaldehyde in the range of 1.1–2.1 μgm-3 were found near highways at a distance of 1 m. In addition, relatively high amounts of 72–228μg of crotonaldehyde are formed from each smoked cigarette. Crotonaldehyde is evidently also formed during biological degradation of organic material such as plants. In exhausts of house garbage compost plants, amounts of 2.9 mgm-3 were measured. Strongly varying concentrations of crotonaldehyde are reported to occur in food, e.g., in fish (71–1000 μg kg-1), in meat (10–270 μg kg-1), and in fruits and vegetables (1–100 μg kg-1). Crotonaldehyde was also found in alcoholic beverages like wine (0.3–1.24 mg l-1) or whisky (30– 210 μg l-1). Crotonaldehyde is an important industrial chemical (e.g., for the synthesis of tocopherol (vitamin E), the food preservative sorbic acid, and the solvent 3-methylbutanol), but it is also a contaminant and by-product in various chemical processes.
Physical properties Clear, colorless to straw-colored liquid with a pungent, irritating, suffocating odor. An odor threshold concentration of 23 ppbv was reported by Nagata and Takeuchi (1990). Katz and Talbert (1930) reported experimental detection odor threshold concentrations ranged from 180 to 570 μg/m3 (63 to 200 ppbv).
Uses manufacture of butyl alcohol, butyraldehyde, methoxybutyraldehyde, sorbic acid, maleic acid, crotonic acid, crotyl alcohol. In polymer chemistry: manufacture of resins and polyvinyl acetals, solvent for polyvinyl chloride, rubber antioxidant, increases rubber strength with ketones. In preparation of insecticides and fertilizers. In production of flavors. Crotonaldehyde is used in organic synthesis, in the manufacture of butyl alcohol and butyraldehyde, and as a warning agent in fuel gases. It is also used in the manufacture of nbutanol and sorbic acid as well as in the production of flavoring agents, surface-active agents, textiles, and insecticidal compounds. Intermediate for the production of scorbic acid; formerly used in the manufacture of n-butyl alcohol; formed during the combustion of fossil fuels

Technology Process of But-2-enal

There total 391 articles about But-2-enal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%