-
Name
DIHYDROKAVAIN
- EINECS
- CAS No. 15345-89-8
- Article Data16
- CAS DataBase
- Density 1.18 g/cm3
- Solubility
- Melting Point 138-140 ºC
- Formula C14H12 O3
- Boiling Point 440 °C at 760 mmHg
- Molecular Weight 228.247
- Flash Point 188 °C
- Transport Information
- Appearance white to faint yellow powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 39.44000
- LogP 2.81880
5,6-Dehydrokawain Chemical Properties
Molecular Structure of 5,6-Dehydrokawain (CAS No.15345-89-8):
.gif)
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
5,6-Dehydrokawain 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. |
5,6-Dehydrokawain 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)- .
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