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| CAS No.: | 587-63-3 |
|---|---|
| Name: | DIHYDROKAVAIN |
| Molecular Structure: | |
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| Formula: | C14H16 O3 |
| Molecular Weight: | 232.279 |
| Synonyms: | 2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)-; 2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-phenethyl- (8CI); (+)-7,8-Dihydrokavain;(+)-Dihydrokavain; (+)-Dihydrokawain; (S)-(+)-Dihydrokawain; 7,8-Dihydrokavain;7,8-Dihydrokawain; Dihydrokavain; Dihydrokawain; Kawain, dihydro-; Marindinin;NSC 112163 |
| Density: | 1.12 g/cm3 |
| Melting Point: | 56-60ºC |
| Boiling Point: | 413.6 ºC at 760 mmHg |
| Flash Point: | 175.6 ºC |
| Solubility: | Soluble in DMSO and methanol. |
| Appearance: | White powder |
| Safety: | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 35.53000 |
| LogP: | 2.46500 |
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Chemistry
Product Name: Dihydrokavain (CAS NO.587-63-3)
Molecular Formula: C14H16O3
Molecular Weight: 232.28g/mol
Mol File: 587-63-3.mol
Appearance: White powder
Melting Point: 56-60ºC
Boiling point: 413.6 °C at 760 mmHg
Flash Point: 175.6 °C
Density: 1.12 g/cm3
Solubility: Soluble in DMSO and methanol.
Surface Tension: 41.3 dyne/cm
Enthalpy of Vaporization: 66.64 kJ/mol
Vapour Pressure: 4.75E-07 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 3
Product Categories: Coumarins
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intraperitoneal | > 250mg/kg (250mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: NAUSEA OR VOMITING | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 505, 1962. |
| dog | LD50 | intraperitoneal | > 200mg/kg (200mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: NAUSEA OR VOMITING | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 505, 1962. |
| mouse | LD50 | intraperitoneal | 325mg/kg (325mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 505, 1962. |
| mouse | LD50 | intravenous | 53mg/kg (53mg/kg) | BEHAVIORAL: ANTICONVULSANT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969. |
| mouse | LD50 | oral | 920mg/kg (920mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 505, 1962. |
| rabbit | LD50 | intraperitoneal | 350mg/kg (350mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 505, 1962. |
Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
Dihydrokavain ,its CAS NO. is 587-63-3,the synonyms is Dihydrokawain ; Marindinin ; 7,8-Dihydrokawain ; 5,6-Dihydro-4-methoxy-6-phenethyl-2h-pyran-2-on ; 6-Dihydro-4-methoxy-6-(2-phenylethyl)-(s)-2h-pyran-2-on ; Dihydro-kawai ; Dihydrokavain(p) .