Product Name: 4-Hydroxy-5-octyl-2(5H)furanone (CAS NO.78128-84-4)
Molecular Formula: C12H20O3
Molecular Weight: 212.32g/mol
Mol File: 78128-84-4.mol
Boiling point: 317.3 °C at 760 mmHg
Flash Point: 114.6 °C
Density: 1.055 g/cm3
Surface Tension: 39.8 dyne/cm
Enthalpy of Vaporization: 64.76 kJ/mol
Vapour Pressure: 3.26E-05 mmHg at 25°C
XLogP3-AA: 3.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 4-Hydroxy-5-octyl-2(5H)furanone (CAS NO.78128-84-4):
IUPAC Name: 5-Hydroxy-2-octylfuran-3-one
Canonical SMILES: CCCCCCCCC1C(=O)C=C(O1)O
InChI: InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-11-10(13)9-12(14)15-11/h9,11,14H,2-8H2,1H3
InChIKey: YKDQGFFCCVUDIR-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 160mg/kg (160mg/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 | 550mg/kg (550mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961. |
Poison by intravenous route. Moderately toxic by subcutaneous route. When heated to decomposition it emits acrid smoke and fumes.
4-Hydroxy-5-octyl-2(5H)furanone , its CAS NO. is 78128-84-4, the synonyms are gamma-Octyl-beta-hydroxy-delta(sup alpha,beta)-butenolid ; 2(5H)Furanone, 4-hydroxy-5-octyl- .
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