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Basic Information
CAS No.: 587-63-3
Name: DIHYDROKAVAIN
Article Data: 9
Molecular Structure:
Molecular Structure of 587-63-3 (DIHYDROKAVAIN)
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) .