1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl- supplier

Name
8-(1,1-dimethylethyl)-3-methyl-1-oxaspiro[4.5]decan-2-one
EINECS 304-734-5
CAS No. 94278-43-0
Density 0.98 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₄O₂
Boiling Point 291.5 °C at 760 mmHg
Molecular Weight 224.34
Flash Point 118 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-(1,1-Dimethylethyl)-3-methyl-1-oxaspiro[4.5]decan-2-one;8-tert-Butyl-2-methyl-4-oxaspiro[4.5]decan-3-one;
PSA 26.30000
LogP 3.54450

1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl- Specification

The 1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl-, with the CAS registry number 94278-43-0, is also known as 8-(1,1-Dimethylethyl)-3-methyl-1-oxaspiro[4.5]decan-2-one. Its EINECS number is 304-734-5. This chemical's molecular formula is C₁₄H₂₄O₂and molecular weight is 224.34. What's more, its systematic name is 8-tert-Butyl-2-methyl-4-oxaspiro[4.5]decan-3-one.

Physical properties of 1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.479; (10)Molar Refractivity: 64.6 cm³; (11)Molar Volume: 227.4 cm³; (12)Polarizability: 25.61×10^-24cm³; (13)Surface Tension: 33.1 dyne/cm; (14)Density: 0.98 g/cm³; (15)Flash Point: 118 °C; (16)Enthalpy of Vaporization: 53.1 kJ/mol; (17)Boiling Point: 291.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00194 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC2(CCC(CC2)C(C)(C)C)OC1=O
(2)InChI: InChI=1S/C14H24O2/c1-10-9-14(16-12(10)15)7-5-11(6-8-14)13(2,3)4/h10-11H,5-9H2,1-4H3
(3)InChIKey: RUDWYGPMFXMYJL-UHFFFAOYSA-N

Product Name

8-(1,1-dimethylethyl)-3-methyl-1-oxaspiro[4.5]decan-2-one

1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-3-methyl- Specification

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