542-78-9

Name propanedial
CAS 542-78-9
Molecular Formula C3H4O2
Molecular Weight 72.06
MOL File 542-78-9.mol
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Chemical Properties

Melting point  72-74°
Boiling point  66.43°C (rough estimate)
density  0.9843 (rough estimate)
refractive index  1.3670 (estimate)
solubility  sol EtOH, MeOH, H2O; moderately sol CH2Cl2; insol ether.
pka 5(at 25℃)
InChI InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey WSMYVTOQOOLQHP-UHFFFAOYSA-N
SMILES C(=O)CC=O
LogP -0.390 (est)
CAS DataBase Reference 542-78-9
IARC 3 (Vol. 36, Sup 7, 71) 1999

Safety Data

Hazardous Substances Data 542-78-9(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 632 mg/kg (Crawford)

Hazard Information

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