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| CAS No.: | 502-72-7 |
|---|---|
| Name: | Cyclopentadecanone |
| Article Data: | 86 |
| Molecular Structure: | |
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| Formula: | C15H28O |
| Molecular Weight: | 224.387 |
| Synonyms: | Exaltone;NSC 63900;Normuscone; |
| EINECS: | 207-951-2 |
| Density: | 0.854 g/cm3 |
| Melting Point: | 63-65 °C(lit.) |
| Boiling Point: | 338.3 °C at 760 mmHg |
| Flash Point: | 139 °C |
| Solubility: | 578μg/L at 20℃ |
| Appearance: | white crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 17.07000 |
| LogP: | 5.03050 |
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| Conditions | Yield |
|---|---|
| With Amberlyst A26 resin bound bis(azido)iodate(I) In acetonitrile at 20℃; for 18h; Irradiation; Inert atmosphere; | 100% |
| With iodine; [bis(pyridine)iodine]+ tetrafluoroborate; caesium carbonate In acetonitrile at 60℃; for 7h; | 92% |
| With chromium(VI) oxide; sulfuric acid; benzene |
- 52794-21-5
2-Oxocyclopentadecancarbonsaeure-methylester
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol; water for 3h; Heating; | 100% |
- 34341-05-4
cyclopentadecanone oxime
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With 2,2'-dipyridyldiselenide; trimethylphosphane In tetrahydrofuran; toluene at 20℃; for 0.5h; Product distribution; Further Variations:; Reagents; Solvents; | 100% |
| With diphenyldisulfane; triethylphosphine In tetrahydrofuran for 0.333333h; Ambient temperature; | 92% |
| Stage #1: cyclopentadecanone oxime With diphenyldisulfane; trimethylphosphane In tetrahydrofuran at 20℃; Stage #2: With water In tetrahydrofuran Further stages.; | |
| With gold(III) tribromide; dimethylglyoxal In ethanol; water at 20℃; for 15h; pH=7; | 100 %Spectr. |
- 56345-01-8
(2E)-cyclopentadec-2-en-1-one
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal | 100% |
- 14224-80-7
cyclopentadec-4-yn-1-one
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon; hydrogen In ethanol at 20℃; under 3750.38 Torr; for 8h; Temperature; Autoclave; | 99% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol | 98% |
- 32247-08-8
cyclopentadec-2-en-1-one
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With enone reductase from Sporidiobolus salmonicolor TPU 2001; NADH In aq. phosphate buffer at 30℃; for 1h; pH=7; Kinetics; Enzymatic reaction; | 97.5% |
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethyl acetate | 95% |
- 57969-18-3
trans-cyclopentadec-5-enone
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol | 91% |
- 502-72-7
cyclopentadecanone
| Conditions | Yield |
|---|---|
| With hydrogen; palladium In ethanol | 88% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Cyclopentadecanone is an organic compound with the formula C15H28O. The IUPAC name of this chemical is cyclopentadecanone. With the CAS registry number 502-72-7, it is also named as Exaltone. The product's categories are C15 to C38; Carbonyl Compounds; Ketones. Besides, it is a white crystalline powder, which should be stored in a closed ventilated and dry place. It is widely used in the preparation of flavor.
Physical properties about Cyclopentadecanone are: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16177.82; (6)ACD/BCF (pH 7.4): 16177.82; (7)ACD/KOC (pH 5.5): 35837.05; (8)ACD/KOC (pH 7.4): 35837.05; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.44; (12)Molar Refractivity: 69.3 cm3; (13)Molar Volume: 262.5 cm3; (14)Polarizability: 27.47×10-24cm3; (15)Surface Tension: 28.4 dyne/cm; (16)Density: 0.854 g/cm3; (17)Flash Point: 139 °C; (18)Enthalpy of Vaporization: 58.16 kJ/mol; (19)Boiling Point: 338.3 °C at 760 mmHg; (20)Vapour Pressure: 9.92E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-hydroxy-cyclopentadecanone. This reaction will need reagent zinc-powder, HCl and ethanol.
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Uses of Cyclopentadecanone: it can be used to produce 2-methylenecyclopentadecanone ny heating. It will need reagent N-methylanilinium trifluoroacetate and solvent dioxane with reaction time of 8.3 hours. The yield is about 55%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCCCCCCCCCCC1
(2)InChI: InChI=1/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
(3)InChIKey: OSOIQJGOYGSIMF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
(5)Std. InChIKey: OSOIQJGOYGSIMF-UHFFFAOYSA-N