ChemicalBook--->CAS DataBase List--->542-78-9

542-78-9

542-78-9 Structure

542-78-9 Structure
IdentificationBack Directory
[Name]

propanedial
[CAS]

542-78-9
[Synonyms]

propanedial
3-Oxopropanal
Malonaldehyde.
1,3-Propanedione
Malonyl dialdehyde
[Molecular Formula]

C3H4O2
[MOL File]

542-78-9.mol
[Molecular Weight]

72.06
Questions And AnswerBack Directory
[Preparation]

method for removing propanedial (MDA) from oils includes the following steps: 30g of edible soybean salad oil (its MDA content was determined to be 1.50 μg·g⁻¹ using the TBA colorimetric method) is weighed into a 100ml round-bottom flask. 30mg of 98% concentrated phosphoric acid is added, and the mixture is stirred at 50 rpm for 30 min at 50°C. Then, 0.3g of sodium glutamate is added, and the mixture is stirred at 50 rpm for 60 min at 50°C. After the reaction, the soybean oil is centrifuged to recover 28.3g of soybean salad oil. The MDA content was determined to be 0.40 μg·g⁻¹ using the TBA colorimetric method, and the MDA removal rate was 73.3%.
Chemical PropertiesBack Directory
[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
Hazard InformationBack Directory
[Definition]

ChEBI: A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking. It exists in vivo mainly in the enol form.
[Uses]

Propanedial, exists in horseradish hairy root taht has shown strong antioxidant capacity under arsenic stress which indicates possible use of Armoracia rusticana plants for phytoremediation.
[storage]

Unstable and easily polymerizes. The generation of MDA in situ from  the hydrolysis of its bis-acetals results in the formation of a number of side products, including β- alkoxyacrolein, 3,3-dialkoxypropionaldehyde, and fluorescent condensation polymers of MDA. Crystalline  sodium MDA, which is much more stable than MDA, is the recommended synthetic reagent. Sodium MDA,  if stored under nitrogen in a refrigerator, is stable for months.
Safety DataBack Directory
[Hazardous Substances Data]

542-78-9(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 632 mg/kg (Crawford)
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