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67785-70-0

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Basic Information
CAS No.: 67785-70-0
Name: Menthone 1,2-glycerol ketal
Molecular Structure:
Molecular Structure of 67785-70-0 (Menthone 1,2-glycerol ketal)
Formula: C13H24O3
Molecular Weight: 228.332
Synonyms: Menthone 1,2-glycerol ketal;
Density: 1.04 g/cm3
Boiling Point: 338.7 °C at 760 mmHg
Flash Point: 158.7 °C
PSA: 38.69000
LogP: 2.18260
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Specification

The Menthone 1,2-glycerol ketal with the CAS number 67785-70-0 is also called 1,5-Dioxaspiro[5.5]undecan-3-ol,10-methyl-7-(1-methylethyl)-. The IUPAC name is 2-methyl-5-propan-2-yl-7,11-dioxaspiro[5.5]undecan-9-ol. Its molecular formula is C13H24O3.

The properties of the chemical are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.46; (6)ACD/BCF (pH 7.4): 87.46; (7)ACD/KOC (pH 5.5): 854.16; (8)ACD/KOC (pH 7.4): 854.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 63.08 cm3; (15)Molar Volume: 218.6 cm3; (16)Polarizability: 25×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Enthalpy of Vaporization: 67.43 kJ/mol; (19)Vapour Pressure: 6.49×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C2(OCC(O)C1)C(CCC(C)C2)C(C)C
(2)InChI: InChI=1/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-7-11(14)8-16-13/h9-12,14H,4-8H2,1-3H3
(3)InChIKey: GECFTYLLVUKXOY-UHFFFAOYAB