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CAS No.: | 68480-08-0 |
---|---|
Name: | TETRAHYDROMYRCENYL ACETATE |
Molecular Structure: | |
Formula: | C12H24O2 |
Molecular Weight: | 200.321 |
Synonyms: | 2-Octanol,2,6-dimethyl-, acetate (7CI,9CI) |
EINECS: | 270-884-2 |
Density: | 0.868 g/cm3 |
Boiling Point: | 211.8 °C at 760 mmHg |
Flash Point: | 83.6 °C |
PSA: | 26.30000 |
LogP: | 3.54450 |
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Molecule structure of 2-Octanol, 2,6-dimethyl-, 2-acetate (CAS NO.68480-08-0):
IUPAC Name: 2,6-Dimethyloctan-2-yl acetate
Molecular Weight: 200.31776 g/mol
Molecular Formula: C12H24O2
Density: 0.868 g/cm3
Boiling Point: 211.8 °C at 760 mmHg
Flash Point: 83.6 °C
Index of Refraction: 1.428
Molar Refractivity: 59.34 cm3
Molar Volume: 230.5 cm3
Polarizability: 23.52×10-24 cm3
Surface Tension: 27.2 dyne/cm
Enthalpy of Vaporization: 44.81 kJ/mol
Vapour Pressure: 0.18 mmHg at 25 °C
XLogP3-AA: 3.9
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 200.17763
MonoIsotopic Mass: 200.17763
Topological Polar Surface Area: 26.3
Heavy Atom Count: 14
Complexity: 173
Canonical SMILES: CCC(C)CCCC(C)(C)OC(=O)C
InChI: InChI=1S/C12H24O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h10H,6-9H2,1-5H3
InChIKey: UCFDRKLPNGITFF-UHFFFAOYSA-N
EINECS of 2-Octanol, 2,6-dimethyl-, 2-acetate (CAS NO.68480-08-0): 270-884-2
2-Octanol, 2,6-dimethyl-, 2-acetate (CAS NO.68480-08-0) is also named as 2,6-Dimethyl-2-octyl acetate ; 2-Octanol, 2,6-dimethyl-, acetate .