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Cas Database |
| Name |
Theaspirane |
EINECS | 253-031-9 |
| CAS No. | 36431-72-8 | Density | 0.94 g/cm3 |
| PSA | 9.23000 | LogP | 3.69040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H22O | Boiling Point | 254.122 °C at 760 mmHg |
| Molecular Weight | 194.317 | Flash Point | 103.827 °C |
| Transport Information | N/A | Appearance | Transparent liquid |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6,10,10-Tetramethyl-1-oxaspiro(4.5)dec-6-ene;Teaspirane;1-Oxaspiro[4.5]dec-6-ene,2,6,10,10-tetramethyl-; |
Article Data | 7 |
Theaspirane Chemical Properties
Molecular Structure of Theaspirane (CAS NO.36431-72-8):
.gif)
IUPAC Name: 3,6,10,10-Tetramethyl-4-oxaspiro[4.5]dec-6-ene
Canonical SMILES: CC1CCC2(O1)C(=CCCC2(C)C)C
InChI: InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
InChIKey: GYUZHTWCNKINPY-UHFFFAOYSA-N
Molecular Weight: 194.31318 [g/mol]
Molecular Formula: C13H22O
XLogP3-AA: 3
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 253-031-9
Index of Refraction: 1.488
Molar Refractivity: 59.56 cm3
Molar Volume: 206.6 cm3
Surface Tension: 30.7 dyne/cm
Density: 0.94 g/cm3
Flash Point: 103.8 °C
Enthalpy of Vaporization: 47.17 kJ/mol
Boiling Point: 254.1 °C at 760 mmHg
Vapour Pressure: 0.0281 mmHg at 25 °C
Appearance: Transparent liquid
FEMA: 3774
Product Categories: Flavor
Theaspirane Safety Profile
Safety Information of Theaspirane (CAS NO.36431-72-8):
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
Theaspirane Specification
Theaspirane (CAS NO.36431-72-8), its Synonyms are 1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl- ; 1-Oxaspiro-2,6,10,10-tetramethyl(4.5)dec-6-ene ; 2,6,10,10-Tetramethyl-1-oxaspiro(4.5)dec-6-ene .
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