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Acrolein

Acrolein structure

CAS No:
107-02-8
Formula:
C3H4O
Chemical Name:
Acrolein
Synonyms:
2-Propenal;Acrolein;Acrylaldehyde;Acrylic aldehyde;Allyl aldehyde;Aqualin;Propenal;Prop-2-en-1-al;2-Propen-1-one;NSC 8819;Magnacide H;Magnacide B;25314-61-8
Categories:
Organic Chemistry > Aldehydes

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Description

Colorless or yellow liquid with a piercing, disagreeable odor.

Acrolein Basic Attributes

Molecular Weight：

56.06330

Exact Mass：

56.06

EC Number：

203-453-4

HScode：

2912190030

Characteristics

PSA：

17.07000

XLogP3：

0.37130

Appearance：

Acrolein, stabilized appears as a colorless to yellow volatile liquid with a disagreeable choking odor. Flash point below 0°F. Initially irritating to the eyes and mucous membranes. Very toxic by inhalation. Less dense than water (7.0 lb / gal). Vapors heavier than air. Used to make other chemicals, plastics, and as a herbicide. Rate of onset: Immediate Persistence: Minutes to hour Odor threshold: 1 ppm Source/use/other hazard: Herbicide; tox and corrosive fumes.

Density：

0.8075 g/cm³ @ Temp: 50 °C

Melting Point：

-88 °C

Boiling Point：

52.5 °C @ Press: 760 Torr

Flash Point：

-26ºC

Refractive Index：

1.402

Water Solubility：

H2O: soluble . 21.25 g/100 mL

Storage Conditions：

2-8ºC

Vapor Pressure：

4.05 psi ( 20 °C)

Vapor Density：

1.94 (vs air)

Flammability characteristics：

Class IB Flammable Liquid: Fl.P. below 73°F and BP at or above 100°F.

Explosive limit：

vol% in air: 2.81

Odor：

Extremely sharp; extremely acrid, pungent, burnt sweet; hot fat

PH：

pH 6.0 (max), a 10% solution in water at 25 °C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 1092

wgk germany：

hazard class code：

R11; R24/25; R26; R34; R50

safety instructions：

S23-S26-S28-S36/37/39-S45-S61

RTECS Number：

AS1050000

Marks：

Storage features：

Fireproof. Separated from strong oxidants, strong bases, strong acids and food and feedstuffs. Cool. Ventilation along the floor. Store only if stabilized.

Stability/Shelf Life：

The stability of acrolein is very dependent on pH.

Precautionary statement(s)：

P260-P280-P301 + P310 + P330-P304 + P340 + P310-P305 + P351 + P338-P370 + P378

Hazard Statements：

H225-H300 + H330-H311-H314-H410

Acrolein Use and Manufacturing

Acrolein is used in the synthesis of acrylic acid.

Computed Properties

Molecular Weight:56.06
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:56.026214747
Monoisotopic Mass:56.026214747
Topological Polar Surface Area:17.1
Heavy Atom Count:4
Complexity:30.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hexane

Alumina

Oxalic acid

Sodium carbonate

Formaldehyde

Sorbitol

Glycerol

Acetic acid

Acetone

Propane

Epsom Salt

Acetaldehyde

Propylene Oxide

Sulfuric acid

Nitric acid

Potassium sulfate

Isobutanol

Glycolic acid

Downstream Products

2-Methylpyridine

Glutaraldehyde

Glycerol

1-Propanol

Acetaldehyde

Acrylic acid

Methyl acrylate

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