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| CAS No.: | 4485-09-0 |
|---|---|
| Name: | 4-Nonanone |
| Molecular Structure: | |
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| Formula: | C9H18O |
| Molecular Weight: | 142.241 |
| Synonyms: | Pentylpropyl ketone;Propyl amyl ketone; |
| EINECS: | 224-770-4 |
| Density: | 0.816 g/cm3 |
| Melting Point: | -18.52°C (estimate) |
| Boiling Point: | 190 °C at 760 mmHg |
| Flash Point: | 61.4 °C |
| Appearance: | clear colorless to light yellow liquid |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 17.07000 |
| LogP: | 2.93590 |
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Specification
The 4-Nonanone, with the CAS registry number 4485-09-0, is also known as Propyl amyl ketone. Its EINECS registry number is 224-770-4. This chemical's molecular formula is C9H18O and molecular weight is 142.24. What's more, both its IUPAC name and systematic name are the same which is called Nonan-4-one. It is clear colorless to light yellow liquid.
Physical properties about 4-Nonanone are: (1) ACD/LogP: 3.03; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.03; (4) ACD/LogD (pH 7.4): 3.03; (5) ACD/BCF (pH 5.5): 118.41; (6) ACD/BCF (pH 7.4): 118.41; (7) ACD/KOC (pH 5.5): 1061.08; (8) ACD/KOC (pH 7.4): 1061.08; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 17.07 Å2; (13) Index of Refraction: 1.416; (14) Molar Refractivity: 43.77 cm3; (15) Molar Volume: 174.2 cm3; (16) Surface Tension: 26.5 dyne/cm; (17) Density: 0.816 g/cm3; (18) Flash Point: 61.4 °C; (19) Enthalpy of Vaporization: 42.62 kJ/mol; (20) Boiling Point: 190 °C at 760 mmHg; (21) Vapour Pressure: 0.553 mmHg at 25 °C.
Preparation of 4-Nonanone: this chemical can be prepared by Butyryl chloride with Dipentylcadmium. The yield is 65 %.
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Uses of 4-Nonanone: it is used to produce other chemicals. For example, it is used to produce 4,4-Difluorononane. The reaction occurs with reagent Diethylaminosulfur trifluoride. The yield is 44 %.
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When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CCC)CCCCC
(2) InChI: InChI=1/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3
(3) InChIKey: TYBCSQFBSWACAA-UHFFFAOYAF