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Cas Database |
| Name |
Tutu |
EINECS | N/A |
| CAS No. | 2571-22-4 | Density | 1.1975 (rough estimate) |
| PSA | 91.82000 | LogP | -0.61780 |
| Solubility | N/A | Melting Point |
204 - 205 °C (hexane) |
| Formula | C15H18 O6 | Boiling Point | 356.07°C (rough estimate) |
| Molecular Weight | 294.304 | Flash Point | 212.6oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bS,2S,2'R,5R,6S,6aR,7aR,8S)- (9CI); Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-,[1aS-(1aa,1bb,2b,5b,6a,6ab,7b,7aa,8S*)]-;Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2aH)-one, 1ab,1b,5a,6,6a,7ab-hexahydro-1ba,6b-dihydroxy-8a-isopropenyl-6aa-methyl- (8CI); Tutin (6CI,7CI); (+)-Tutin; Coriaria lactone |
Article Data | 3 |
Tutu Chemical Properties
Molecular Formula: C15H18O6
Molecular Weight: 294.2998
Molecular structure:
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.38
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 5.5): 6.54
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 5.5): 133.46
ACD/KOC (pH 7.4): 133.46
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 3
Index of Refraction: 1.637
Molar Refractivity: 69.12 cm3
Molar Volume: 192.5 cm3
Polarizability: 27.4×10-24cm3
Surface Tension: 64.5 dyne/cm
Density: 1.52 g/cm3
Flash Point: 212.6 °C
Enthalpy of Vaporization: 95.54 kJ/mol
Boiling Point: 550.9 °C at 760 mmHg
Vapour Pressure: 1.96E-14 mmHg at 25 °C
Tutu Uses
Tutu (CAS No.2571-22-4) is commonly used as pharmaceutical raw material.
Tutu Toxicity Data With Reference
| 1. | ipr-mus LD50:3 mg/kg | JMCMAR Journal of Medicinal Chemistry. 11 (1968),729. | ||
| 2. | scu-mus LD50:3613 µg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 29 (1940),2. | ||
| 3. | scu-rbt LD50:1521 µg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 29 (1940),2. | ||
| 4. | ivn-rbt LD50:1244 µg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 29 (1940),2. |
Tutu Safety Profile
Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Tutu Specification
Tutu with CAS register number of 2571-22-4 is called as Tutin ; (7R,8R)-1aβ,1b,5,6,6a,7aβ-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methylethenyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one ; Toot poison ; CHEBI:166171 ; CID75729 ; LS-146207 ,and so on.
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