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4-Nonanone

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Name

4-Nonanone

EINECS 224-770-4
CAS No. 4485-09-0 Density 0.816 g/cm3
PSA 17.07000 LogP 2.93590
Solubility N/A Melting Point -18.52°C (estimate)
Formula C9H18O Boiling Point 190 °C at 760 mmHg
Molecular Weight 142.241 Flash Point 61.4 °C
Transport Information N/A Appearance clear colorless to light yellow liquid
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4485-09-0 (4-Nonanone) Hazard Symbols N/A
Synonyms

Pentylpropyl ketone;Propyl amyl ketone;

Article Data 47

4-Nonanone 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 %.

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 %.

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

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