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Cas Database |
| Name |
Gracilin |
EINECS | N/A |
| CAS No. | 23522-05-6 | Density | 1.15g/cm3 |
| PSA | 43.37000 | LogP | 2.64360 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H20 O3 | Boiling Point | 411.1°Cat760mmHg |
| Molecular Weight | 248.322 | Flash Point | 183.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A reproductive hazard. |
| Synonyms |
Eudesm-4-en-12-oicacid, 6-hydroxy-1-oxo-, g-lactone (8CI); Naphtho[1,2-b]furan-2,6(3H,4H)-dione,3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethyl-, [3S-(3a,3aa,5ab,9bb)]-; Barrelierin; Dibicor; Gracilin; Taurin |
Article Data | 4 |
Gracilin Chemical Properties
Empirical Formula of Gracilin (CAS NO.23522-05-6): C15H20O3
Molecular Weight: 248.3175
Index of Refraction: 1.532
Density: 1.15 g/cm3
Flash Point: 183.3 °C
Enthalpy of Vaporization: 66.35 kJ/mol
Boiling Point: 411.1 °C at 760 mmHg
Vapour Pressure: 5.74E-07 mmHg at 25 °C
Structure of Gracilin (CAS NO.23522-05-6):
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XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name of Gracilin (CAS NO.23522-05-6): (3S,3aS,5aR,9bS)-3,5a,9-Trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
Canonical SMILES: CC1C2CCC3(C(=O)CCC(=C3C2OC1=O)C)C
Isomeric SMILES: C[C@H]1[C@@H]2CC[C@]3(C(=O)CCC(=C3[C@H]2OC1=O)C)C
InChI: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-10,13H,4-7H2,1-3H3/t9-,10-,13-,15-/m0/s1
InChIKey: RSDQBPGKMDFRHH-MJVIGCOGSA-N
Gracilin Safety Profile
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Gracilin Specification
Gracilin ,its cas register number is 23522-05-6. It also can be called Taurin ; Eudesm-4-en-12-oic acid, 6-hydroxy-1-oxo-, gamma-lactone and Barrelierin .
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