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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 | Hazard Symbols | N/A | |
Synonyms |
Aspergillicacid (6CI,7CI,8CI) |
Article Data | 2 |
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
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. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
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.