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Basic Information
CAS No.: 68480-08-0
Name: TETRAHYDROMYRCENYL ACETATE
Molecular Structure:
Molecular Structure of 68480-08-0 (TETRAHYDROMYRCENYL ACETATE)
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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Chemistry

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

Specification

 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 .