CAS No.4643-27-0,2-Octen-4-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4643-27-0
Name:	2-Octen-4-one
Article Data:	14

Formula:	C₈H₁₄O
Molecular Weight:	126.199
Synonyms:	Butyl1-propenyl ketone;
EINECS:	225-071-7
Density:	0.833 g/cm³
Boiling Point:	180.4 °C at 760 mmHg
Flash Point:	67.1 °C
Solubility:	Insoluble in water.
Appearance:	Colourless to pale yellow liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	16-26-36
PSA:	17.07000
LogP:	2.32180

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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