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Aspergillic acid

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Name

Aspergillic acid

EINECS N/A
CAS No. 490-02-8 Density 1.1g/cm3
PSA 58.58000 LogP 2.92770
Solubility N/A Melting Point 97-99° (methanol)
Formula C12H20 N2 O2 Boiling Point 336.3°Cat760mmHg
Molecular Weight 224.303 Flash Point 157.2°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 490-02-8 (aspergillic acid) Hazard Symbols N/A
Synonyms

Aspergillicacid (6CI,7CI,8CI)

Article Data 2

Aspergillic acid Chemical Properties


IUPAC Name: 6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one 
Molecular Weight: 224.2994 g/mol
Molecular Formula: C12H20N2O2 
Density: 1.1 g/cm3 
Melting Point: 98 °C
Boiling Point: 336.3 °C at 760 mmHg 
Flash Point: 157.2 °C 
Vapour Pressure: 7.8E-06 mmHg at 25°C
Index of Refraction: 1.532
Molar Refractivity: 63.27 cm3
Molar Volume: 203.8 cm3
Polarizability: 25.08*10-24cm3
Surface Tension: 35.6 dyne/cm
Enthalpy of Vaporization: 67.13 kJ/mol 
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 224.152478
MonoIsotopic Mass: 224.152478
Topological Polar Surface Area: 52.9
Heavy Atom Count: 16
Complexity: 332
InChI: InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3
InChIKey: IUZCDJYHMMWBBE-UHFFFAOYSA-N
Synonyms of Aspergillic acid (CAS NO.490-02-8) : (+)-1-Hydroxy-6-(1-methylpropyl)-3-(2-methylpropyl)-2(1H)-pyrazinone ; (+)-1-Hydroxy-6-(1-methylpropyl)-3-(2-methylpropyl)pyrazin-2(1H)-one 

Aspergillic acid Toxicity Data With Reference

1.    

orl-mus LDLo:200 mg/kg

    JOBAAY    Journal of Bacteriology. 45 (1943),433.
2.    

ipr-mus LDLo:150 mg/kg

    JOBAAY    Journal of Bacteriology. 45 (1943),433.

Aspergillic acid Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Aspergillic acid Specification

 Aspergillic acid (CAS NO.490-02-8) is high toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Aspergillic acid (CAS NO.490-02-8) separate from food materials of the storeroom.

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