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107-02-8

107-02-8 structural image
Product Name: Acrolein
Formula: C3H4O
Synonyms: 2-Propenal
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 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.
Color/Form Colorless or yellowish liquid
Odor Extremely sharp; extremely acrid, pungent, burnt sweet; hot fat
Boiling Point 126 °F at 760 mmHg (EPA, 1998)
Melting Point -126 °F (EPA, 1998)
Flash Point -15 °F (EPA, 1998)
Solubility greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Density 0.8389 to 0.8621 at 32 to 68 °F (EPA, 1998)
Vapor Density 1.94 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 135.71 to 210 mmHg at 50 to 68 °F (EPA, 1998)
LogP log Kow = -0.01
Henry's Law Constant Henry's Law constant = 1.22X10-4 atm-cu m/mol at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 453 °F (USCG, 1999)
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides.
Viscosity 0.35 cP at 20 °C
Corrosivity Non-corrosive to iron & steel at room temperature
Heat of Combustion -12,500 BTU/lb = -6,950 cal/g = -290X10+5 J/kg
Heat of Vaporization 216 BTU/lb = 120 cal/g = 5.02X10+5 J/kg
pH pH 6.0 (max), a 10% solution in water at 25 °C
Surface Tension 24 dynes/cm = 0.024 N/m at 20 °C
Ionization Potential 10.13 eV
Polymerization Violent polymerization reaction on contact with strong acid, strong base, weak acid conditions (e.g., nitrous fumes, sulfur dioxide, carbon dioxide), thiourea, or dimethylamine.
Odor Threshold Odor Threshold Low: 0.02 [mmHg] Odor Threshold High: 1.8 [mmHg] Detection odor threshold from AIHA (mean = 1.8 ppm) Odor threshold = between 0.02 and 0.4
Refractive Index Index of refraction: 1.4017 at 20 °C/D
Kovats Retention Index 462 470 469 463 463 463 464 469 465 467.7 473.1 453.7
Other Experimental Properties Conversion factors: 1 mg/l = 437 ppm; 1 ppm = 2.3 mg/cu m
Chemical Classes Toxic Gases & Vapors -> Other Toxic Gases & Vapors

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H311:Acute toxicity,dermal
H314:Skin corrosion/irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 56.06 g/mol
XLogP3 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 56.026214747 g/mol
Monoisotopic Mass 56.026214747 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 30.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Acrolein is a colorless or yellow liquid with a disagreeable odor. It dissolves in water very easily and quickly changes to a vapor when heated. It also burns easily. Small amounts of acrolein can be formed and can enter the air when trees, tobacco, other plants, gasoline, and oil are burned. Acrolein is used as a pesticide to control algae, weeds, bacteria, and mollusks. It is also used to make other chemicals.