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| CAS No.: | 69225-59-8 |
|---|---|
| Name: | 1,5-Dioxaspiro[5.5]undecan-9-one,3,3-dimethyl- |
| Article Data: | 11 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C11H18O3 |
| Molecular Weight: | 198.262 |
| Synonyms: | 1,4-Cyclohexanedionemono(2,2-dimethyltrimethylene ketal);1,4-Cyclohexanedione mono-2,2-dimethyltrimethylene ketal; |
| EINECS: | 273-918-4 |
| Density: | 1.08 g/cm3 |
| Melting Point: | 45-50 °C(lit.) |
| Boiling Point: | 295.4 °C at 760 mmHg |
| Flash Point: | 123.3 °C |
| Solubility: | N/A |
| Appearance: | White to yellowish powder |
| Hazard Symbols: | N/A |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 35.53000 |
| LogP: | 1.89880 |
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The 1,5-Dioxaspiro[5.5]undecan-9-one,3,3-dimethyl-, with the CAS registry number 69225-59-8, is also known as 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one. Its EINECS registry number is 273-918-4. This chemical's molecular formula is C11H18O3 and molecular weight is 198.26. Its IUPAC name is called 9,9-dimethyl-7,11-dioxaspiro[5.5]undecan-3-one. When you are using this chemical, please be cautious about it. This chemical is irritating to eyes, respiratory system and skin. You should avoid contacting it with skin and eyes. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.
Physical properties of 1,5-Dioxaspiro[5.5]undecan-9-one,3,3-dimethyl-: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.12; (5)ACD/BCF (pH 7.4): 5.12; (6)ACD/KOC (pH 5.5): 111.99; (7)ACD/KOC (pH 7.4): 111.99; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.484; (10)Molar Refractivity: 52.5 cm3; (11)Molar Volume: 183.3 cm3; (12)Surface Tension: 36.2 dyne/cm; (13)Density: 1.08 g/cm3; (14)Flash Point: 123.3 °C; (15)Enthalpy of Vaporization: 53.51 kJ/mol; (16)Boiling Point: 295.4 °C at 760 mmHg; (17)Vapour Pressure: 0.00153 mmHg at 25°C.
Preparation: this chemical can be prepared by 3,3-dimethyl-1,5-dioxa-spiro[5.5]undecan-9-ol. This reaction will need reagent CrO3, 3,5-dimethylpyrazole and solvent CH2Cl2. The reaction time is 10 min. The yield is about 81%.
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Uses of 1,5-Dioxaspiro[5.5]undecan-9-one,3,3-dimethyl-: it can be used to produce N,N'-bis-(3,3-dimethyl-1,5-dioxa-spiro[5.5]undec-9-ylidene)-hydrazine by heating. This reaction will need reagent N2H4*H2O and solvent ethanol with reaction time of 5 hours. The yield is about 80%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(COC2(CCC(=O)CC2)OC1)C
(2)InChI: InChI=1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3
(3)InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N
