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CAS No.: | 64854-98-4 |
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Name: | Benzeneacetic acid 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester |
Molecular Structure: | |
Formula: | C33H42 O8 |
Molecular Weight: | 566.8 |
Synonyms: | 9aH-Cyclopropa[3,4]benz[1,2-e]azulene,benzeneacetic acid deriv.; Candletoxin B |
Density: | 1.28g/cm3 |
Boiling Point: | 695.5°Cat760mmHg |
Flash Point: | 218.3°C |
Safety: | A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. |
PSA: | 130.36000 |
LogP: | 3.32230 |
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Product Name: Candletoxin B
Synonyms of Candletoxin B (CAS NO.64854-98-4): BRN 2320031 ; Benzeneacetic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
CAS NO: 64854-98-4
Molecular Formula of Candletoxin B (CAS NO.64854-98-4): C33H42O8
Molecular Weight: 566.6818
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 13
Polar Surface Area: 97.36 Å2
Index of Refraction: 1.605
Molar Refractivity: 151.33 cm3
Molar Volume: 439.3 cm3
Surface Tension: 58.9 dyne/cm
Density of Candletoxin B (CAS NO.64854-98-4): 1.28 g/cm3
Flash Point: 218.3 °C
Enthalpy of Vaporization: 106.98 kJ/mol
Boiling Point: 695.5 °C at 760 mmHg
Vapour Pressure: 2.62E-20 mmHg at 25°C
Molecular Structure:
1. | skn-mus 110 ng OPEN | ARTODN Archives of Toxicology. 44 (1980),279. |
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.