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DL-Kavain

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Name

DL-Kavain

EINECS 207-907-2
CAS No. 500-64-1 Density 1.15 g/cm3
Solubility Melting Point 142-148℃
Formula C14H14 O3 Boiling Point 432.6 °C at 760 mmHg
Molecular Weight 230.28 Flash Point 184.6 °C
Transport Information Appearance white, fine powder
Safety Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes
Molecular Structure Molecular Structure of 500-64-1 (2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-, (6R)-) Hazard Symbols
Synonyms

2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-; 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-,(R)- (8CI); (+)-Kavain; (+)-Kawain; (R)-(+)-Kavain; Gonosan; Kavain; Kawain;NSC 112162; d-Kawain

 

DL-Kavain Chemical Properties

Empirical Formula of Kawain (CAS NO.500-64-1): C14H14O3
Molecular Weight: 230.2592 
EINECS: 207-907-2
Index of Refraction: 1.564
Density: 1.15 g/cm3
Flash Point: 184.6 °C
Enthalpy of Vaporization: 68.85 kJ/mol
Boiling Point: 432.6 °C at 760 mmHg
Vapour Pressure: 1.09E-07 mmHg at 25 °C
Structure of Kawain (CAS NO.500-64-1):
               
IUPAC Name of Kawain (CAS NO.500-64-1): (2R)-4-Methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
Canonical SMILES: COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2
Isomeric SMILES: COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2
InChI: InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
InChIKey: XEAQIWGXBXCYFX-GUOLPTJISA-N
 

DL-Kavain Toxicity Data With Reference

1.    

orl-mus LD50:1130 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 177 (1969),261.
2.    

ipr-mus LD50:420 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 177 (1969),261.
3.    

ivn-mus LD50:69 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 177 (1969),261.

DL-Kavain Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.

DL-Kavain Specification

 Kawain ,its cas register number is 500-64-1. It also can be called (+)-Kavain ; (R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one ; [R-(E)]-5,6-Dihydro-4-methoxy-6-(2-phenylethenyl)-2H-pyran-2-one and (6R)-4-Methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one .

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