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Name |
Cyclopentadecanone |
EINECS | 207-951-2 |
CAS No. | 502-72-7 | Density | 0.854 g/cm3 |
PSA | 17.07000 | LogP | 5.03050 |
Solubility | 578μg/L at 20℃ | Melting Point |
63-65 °C(lit.) |
Formula | C15H28O | Boiling Point | 338.3 °C at 760 mmHg |
Molecular Weight | 224.387 | Flash Point | 139 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Exaltone;NSC 63900;Normuscone; |
Article Data | 86 |
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 |
2-Oxocyclopentadecancarbonsaeure-methylester
cyclopentadecanone
Conditions | Yield |
---|---|
With potassium hydroxide In methanol; water for 3h; Heating; | 100% |
cyclopentadecanone oxime
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. |
(2E)-cyclopentadec-2-en-1-one
cyclopentadecanone
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal | 100% |
cyclopentadec-4-yn-1-one
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% |
cyclopentadec-2-en-1-one
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% |
cyclopentadecanone
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethyl acetate | 95% |
trans-cyclopentadec-5-enone
cyclopentadecanone
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol | 91% |
cyclopentadecanone
Conditions | Yield |
---|---|
With hydrogen; palladium In ethanol | 88% |
Reported in EPA TSCA Inventory.
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.
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%.
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