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CAS No.: | 62406-73-9 |
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Name: | 8,8-dimethyl-7-(propan-2-yl)-6,10-dioxaspiro[4.5]decane |
Molecular Structure: | |
Formula: | C13H24O2 |
Molecular Weight: | 212.3285 |
Synonyms: | 8,8-Dimethyl-7-(1-methylethyl)-6,10-dioxaspiro[4.5]decane;NSC 39421; |
EINECS: | 424-030-2 |
Density: | 0.96 g/cm3 |
Boiling Point: | 239.1 °C at 760 mmHg |
Flash Point: | 91.6 °C |
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The 6,10-Dioxaspiro[4.5]decane,8,8-dimethyl-7-(1-methylethyl)-, with the CAS registry number 62406-73-9, is also known as 7-Isopropyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane. It belongs to the classification code of TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical's molecular formula is C13H24O2 and molecular weight is 212.18. What's more, its IUPAC name is called 8,8-Dimethyl-9-propan-2-yl-6,10-dioxaspiro[4.5]decane.
Physical properties about 6,10-Dioxaspiro[4.5]decane,8,8-dimethyl-7-(1-methylethyl)- are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 61.6 cm3; (9)Molar Volume: 220.2 cm3; (10)Surface Tension: 31.2 dyne/cm; (11)Density: 0.96 g/cm3; (12)Flash Point: 91.6 °C; (13)Enthalpy of Vaporization: 45.67 kJ/mol; (14)Boiling Point: 239.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0629 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O1CC(C(OC12CCCC2)C(C)C)(C)C
(2) InChI: InChI=1S/C13H24O2/c1-10(2)11-12(3,4)9-14-13(15-11)7-5-6-8-13/h10-11H,5-9H2,1-4H3
(3) InChIKey: NKDJGNROVOPIGT-UHFFFAOYSA-N