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15345-89-8

Basic Information
CAS No.: 15345-89-8
Name: DIHYDROKAVAIN
Article Data: 16
Molecular Structure:
Molecular Structure of 15345-89-8 (DIHYDROKAVAIN)
Formula: C14H12 O3
Molecular Weight: 228.247
Synonyms: 2H-Pyran-2-one,4-methoxy-6-(2-phenylethenyl)-, (E)-; 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-(8CI); Yangonin, demethoxy- (6CI); 5,6-Dehydrokavain; 5,6-Dehydrokawain;Demethoxyyangonin; Desmethoxyyangonin; NSC 112161; NSC 68686;trans-5,6-Dehydrokawain
Density: 1.18 g/cm3
Melting Point: 138-140 ºC
Boiling Point: 440 °C at 760 mmHg
Flash Point: 188 °C
Appearance: white to faint yellow powder
PSA: 39.44000
LogP: 2.81880
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  • 5,6-Dehydrokawain

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    5,6-Dehydrokawain

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  • 4-methoxy-6-[(E)-2-phenylethenyl]-2-pyranone

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Chemistry

Molecular Structure of 5,6-Dehydrokawain (CAS No.15345-89-8):

Molecular Formula: C14H12O3  
Molecular Weight: 228.2433
CAS No: 15345-89-8
IUPAC Name: 4-Methoxy-6-[(E)-2-phenylethenyl]pyran-2-one 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.588
Molar Refractivity: 64.62 cm3
Molar Volume: 191.9 cm3
Surface Tension: 44.5 dyne/cm
Density: 1.18 g/cm3
Flash Point: 188 °C
Enthalpy of Vaporization: 69.71 kJ/mol
Boiling Point: 440 °C at 760 mmHg
Vapour Pressure: 6.09E-08 mmHg at 25°C
InChI: InChI=1/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey: DKKJNZYHGRUXBS-BQYQJAHWBF
Std. InChI: InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
Std. InChIKey: DKKJNZYHGRUXBS-BQYQJAHWSA-N
Classification Code: Drug / Therapeutic Agent
Product Categories: Miscellaneous Natural Products;Coumarins

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.
mouse LD50 intravenous 55mg/kg (55mg/kg) BEHAVIORAL: ANTICONVULSANT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.
mouse LD50 oral > 800mg/kg (800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.

Specification

   5,6-Dehydrokawain (CAS No.15345-89-8), its synonyms are (E)-4-Methoxy-6-styryl-2H-pyran-2-one ; 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI) ; 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-  .