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| CAS No.: | 872-53-7 |
|---|---|
| Name: | Cyclopentanecarbaldehyde |
| Article Data: | 153 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O |
| Molecular Weight: | 98.1448 |
| Synonyms: | Cyclopentylformaldehyde;Formylcyclopentane;NSC 17492;Cyclopentyl aldehyde;Cyclopentanealdehyde;Cyclopentanecarboxaldehyde; |
| EINECS: | 212-829-7 |
| Density: | 1.029 g/cm3 |
| Boiling Point: | 133.3 °C at 760 mmHg |
| Flash Point: | 36 °C |
| Solubility: | Soluble in water and ethanol |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1989 3/PG 3 |
| PSA: | 17.07000 |
| LogP: | 1.37550 |
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Sodium; 1-oxa-spiro[2.4]heptane-2-carboxylate
- 872-53-7
cyclopentanealdehyde
| Conditions | Yield |
|---|---|
| With sulfuric acid stream of steam under a carbon dioxide atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With erbium(III) triflate In dichloromethane for 5h; Heating; | 99% |
| With thorium dioxide at 330℃; | |
| With phthalic anhydride | |
| With magnesium bromide ethyl etherate Verdampfen des Aethers und Zersetzen des Reaktionsprodukts mit Wasser; | |
| With aluminum oxide; lithium bromide In toluene for 2h; Heating; |
- 201230-82-2
carbon monoxide
- 542-92-7
cyclopenta-1,3-diene
A
- 872-53-7
cyclopentanealdehyde
B
- 287-92-3
Cyclopentane
| Conditions | Yield |
|---|---|
| With hydrogen; N-dodecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; {Rh(cod)[μ-S(CH2)3Si(OMe)3]}2; triphenylphosphine In water; butan-1-ol at 80℃; under 10350.8 Torr; for 15h; microemulsion/sol-gel; | A 98.5% B 1.5% |
| Conditions | Yield |
|---|---|
| Stage #1: cyclohexene With ammonium iodide; water; sodium dodecyl-sulfate for 0.5h; Stage #2: With Oxone at 20℃; for 0.13h; regioselective reaction; | 95% |
| With iodobenzene complex with boron trifluoride etherate In dichloromethane at -15 - -10℃; for 0.25h; | 60% |
| With iodosylbenzene; sulfuric acid for 72h; Ambient temperature; | 44% |
| Conditions | Yield |
|---|---|
| With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Ambient temperature; | 89% |
| Multi-step reaction with 2 steps 1: lithium aluminium hydride / diethyl ether 2: pyridinium chlorochromate View Scheme |
- 36601-82-8
N′-(cyclopentylmethylene)-4-methylbenzenesulfonohydrazide
- 872-53-7
cyclopentanealdehyde
| Conditions | Yield |
|---|---|
| With Cr-MCM-41 zeolite on silica gel for 0.116667h; microwave irradiation; | 88% |
- 70341-45-6
cyclopentanecarbaldehyde oxime
- 872-53-7
cyclopentanealdehyde
| Conditions | Yield |
|---|---|
| With Cr-MCM-41 zeolite on silica gel for 0.133333h; microwave irradiation; | 86% |
| Conditions | Yield |
|---|---|
| With dipotassium peroxodisulfate; copper(II) sulfate In water; acetonitrile at 60℃; for 6h; | A 80% B 2% C 7% |
| Conditions | Yield |
|---|---|
| With Celite; pyridinium chlorochromate In dichloromethane at 20℃; for 16h; | 78% |
| With dipyridinium dichromate In dichloromethane for 24h; Ambient temperature; | 10% |
| With copper oxide-chromium oxide catalyst at 300℃; |
| Conditions | Yield |
|---|---|
| In diethyl ether for 15h; Ambient temperature; | 72% |
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Chemistry
Molecule structure of Cyclopentanecarbaldehyde (CAS NO.872-53-7):
IUPAC: Cyclopentanecarbaldehyde
Molecular Weight: 98.143 g/mol
Molecular Formula: C6H10O
Density: 0.919 g/mL at 25 °C(lit.)
Boiling Point: 140-141 °C(lit.)
Flash Point: 36 °C
Index of Refraction: 1.535
Molar Refractivity: 29.66 cm3
Molar Volume: 95.2 cm3
Polarizability: 11.76×10-24 cm3
Surface Tension: 37 dyne/cm
Enthalpy of Vaporization: 37.08 kJ/mol
Vapour Pressure: 8.51 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 98.073165
MonoIsotopic Mass: 98.073165
Topological Polar Surface Area: 17.1
Heavy Atom Count: 7
Complexity: 62.6
Canonical SMILES: C1CCC(C1)C=O
InChI: InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2
InChIKey: VELDYOPRLMJFIK-UHFFFAOYSA-N
EINECS 212-829-7
Product Categories: Cycloalkanes; Aldehydes; C1 to C6; Carbonyl Compounds
Uses
Cyclopentanecarbaldehyde (CAS NO.872-53-7) is used as an important pharmaceutical intermediate.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1989 3/PG 3
WGK Germany: 3
Specification
Cyclopentanecarbaldehyde (CAS NO.872-53-7) is clear colorless to light yellow liquid.