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Crotonaldehyde

Crotonaldehyde structure

Crotonaldehyde 

structure
  • CAS No:

    4170-30-3

  • Formula:

    C4H6O

  • Chemical Name:

    Crotonaldehyde

  • Synonyms:

    2-Butenal;Crotonaldehyde;Crotonal;Crotonic aldehyde;1-Formylpropene;2-Butenaldehyde;NSC 56354;But-2-en-1-al

  • Categories:

    Cosmetic Ingredient  >  Antioxidant Ingredient

Description

colourless liquid Crotonaldehyde is water-white (turns paleyellow on contact with air) with an irritating, pungent, suffocating odor.

Crotonaldehyde Basic Attributes

70.09

70.09

204-647-1

Characteristics

17.1

0.63 (calculated)

Crotonaldehyde, stabilized appears as a clear colorless to straw colored liquid with a penetrating pungent odor. Flash point 55°F. Density 7.1 lb / gal. Very toxic by inhalation. May polymerize with the release of heat under exposure to heat or contamination. If polymerization takes place inside a container, the container may rupture violently. Less dense than water. Vapors heavier than air.

0.853 g/cm3 @ Temp: 20 °C

-76.5 °C

102 °C

48 °F

1.402

soluble in water. (150g/L) at20°C.

2-8°C

32 mm Hg ( 20 °C)

2.41 (vs air)

Oral-Rat LD50: 80 mg/kg; Oral-Mouse LD50: 104 mg/kg

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

vol% in air: 2.15.5

Pungent, suffocating odor

Safety Information

I

6.1(a)

UN 1143 6.1/PG 1

3

11-24/25-26-37/38-41-48/22-50-68

26-28-36/37/39-45-61-16

GP9625000

F,T+,N

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Explosive when mixed with air

Stability Air sensitive. Highly flammable. Readily forms explosive mixtures with air. May polymerize in the presence of acids, alkalies or amines. Uncontrolled polymerisation may lead to a rapid temperature rise. Incompatible with acids, bases, amines, strong oxidizing agents, butadiene, ketones, oxygen. May contain a stabilizer.

P210-P260-P273-P280-P284-P301 + P310

H225-H301 + H311-H315-H318-H330-H335-H341-H373-H410

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P272, P280, P281, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P312, P320, P321, P322, P330, P333+P313, P361, P363, P403+P233, P405, and P501

Toxicity

highly toxic

Crotonaldehyde Use and Manufacturing

Methods of Manufacturing

The preparation method is that acetaldehyde is condensed at 0-20°C to obtain 3-hydroxybutyraldehyde, which is further dehydrated to obtain this product.

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.

Computed Properties

Molecular Weight:70.09
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:70.041864811
Monoisotopic Mass:70.041864811
Topological Polar Surface Area:17.1
Heavy Atom Count:5
Complexity:45.6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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