Kawain (500-64-1),Kawain (500-64-1) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-, (6R)-
Superlist Name:
DL-Kavain
CAS No.:
500-64-1
Molecular Structure:
Formula:
C14H14 O3
Molecular Weight:
230.28
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
Density:
1.15 g/cm³
Boiling Point:
432.6 °C at 760 mmHg
Flash Point:
184.6 °C
Appearance:
white, fine powder
Safety Description:
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes. Details

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Chemistry

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

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.

Safety Profile

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

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 .