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2-Octen-4-one

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Name

2-Octen-4-one

EINECS 225-071-7
CAS No. 4643-27-0 Density 0.833 g/cm3
PSA 17.07000 LogP 2.32180
Solubility Insoluble in water. Melting Point N/A
Formula C8H14O Boiling Point 180.4 °C at 760 mmHg
Molecular Weight 126.199 Flash Point 67.1 °C
Transport Information N/A Appearance Colourless to pale yellow liquid
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 4643-27-0 (2-Octen-4-one) Hazard Symbols Xi
Synonyms

Butyl1-propenyl ketone;

Article Data 14

2-Octen-4-one Specification

This chemical is called 2-Octen-4-one, and it can also be named as Butyl propenyl ketone. With the molecular formula of C8H14O, its molecular weight is 126.20. The CAS registry number of this chemical is 4643-27-0. In addition, this chemical should be sealed in the cool and dry plcace. It's often used for synthetic perfume.

Other characteristics of the 2-Octen-4-one can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.431; (8)Molar Refractivity: 39.19 cm3; (9)Molar Volume: 151.3 cm3; (10)Polarizability: 15.53×10-24cm3; (11)Surface Tension: 26.3 dyne/cm; (12)Density: 0.833 g/cm3; (13)Flash Point: 67.1 °C; (14)Enthalpy of Vaporization: 41.67 kJ/mol; (15)Boiling Point: 180.4 °C at 760 mmHg; (16)Vapour Pressure: 0.897 mmHg at 25°C.

Production method of this chemical: The 2-Octen-4-one could be obtained by the reactants of pentanoyl chloride and allyl-trimethyl-silane. This reaction needs the reagent of InBr3, and the solvent of CH2Cl2. The yield is 72 %. In addition, this reaction should be taken for 55 minutes at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is flammable. Keep it away from sources of ignition. irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(/C=C/C)CCCC
2.InChI: InChI=1/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
3.InChIKey: FMDLEUPBHMCPQV-GQCTYLIABU

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