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Name |
3-Butyl-4-hydroxy-2(5H)furanone |
EINECS | N/A |
CAS No. | 78128-80-0 | Density | 1.173g/cm3 |
PSA | 46.53000 | LogP | 1.54550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12 O3 | Boiling Point | 257.4°C at 760 mmHg |
Molecular Weight | 156.181 | Flash Point | 102.1°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by subcutaneous and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hexanoicacid, 2-(1,2-dihydroxyethylidene)-, g-lactone (6CI) |
Article Data | 3 |
IUPAC Name: 4-butyl-5-hydroxyfuran-3-one
Synonyms of 3-Butyl-4-hydroxy-2(5H)furanone (CAS NO.78128-80-0): BRN 5424714 ; alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid ; alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German] ; 2(5H)Furanone, 3-butyl-4-hydroxy-
CAS NO: 78128-80-0
Molecular Formula of 3-Butyl-4-hydroxy-2(5H)furanone (CAS NO.78128-80-0): C8H12O3
Molecular Weight: 156.1791
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.512
Molar Refractivity: 39.96 cm3
Molar Volume: 133.1 cm3
Surface Tension: 44.3 dyne/cm
Density of 3-Butyl-4-hydroxy-2(5H)furanone (CAS NO.78128-80-0): 1.173 g/cm3
Flash Point: 102.1 °C
Enthalpy of Vaporization: 57.5 kJ/mol
Boiling Point: 257.4 °C at 760 mmHg
Vapour Pressure: 0.00216 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 1187mg/kg (1187mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961. |
mouse | LD50 | subcutaneous | 1750mg/kg (1750mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961. |
Moderately toxic by subcutaneous and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.