3-Methyl-pent-3-en-2-one (565-62-8)

The IUPAC name of 3-Methyl-3-penten-2-one is (E)-3-methylpent-3-en-2-one. With the CAS registry number 565-62-8, it is also named as 3-Penten-2-one, 3-methyl-. The product is stable and incompatible with strong oxidizing agents. In addition, its molecular formula is C₆H₁₀O and its molecular weight is 98.14. Besides, it is brown to yellow liquid which should be sealed container in a cool, dry place.

The other characteristics of 3-Methyl-3-penten-2-one can be summarized as: (1)EINECS: 209-283-7; (2)ACD/LogP: 1.12; (3)# of Rule of 5 Violations: 0; (4)H bond acceptors: 1; (5)H bond donors: 0; (6)Freely Rotating Bonds: 1; (7)Polar Surface Area: 17.07 Å²; (8)Index of Refraction: 1.418; (9)Molar Refractivity: 29.77 cm³; (10)Molar Volume: 118.1 cm³; (11)Polarizability: 11.8×10^-24cm³; (12)Surface Tension: 23.2 dyne/cm; (13)Density: 0.83 g/cm³; (14)Flash Point: 30.2 °C; (15)Melting Point: -70 °C; (16)Enthalpy of Vaporization: 37.53 kJ/mol; (17)Boiling Point: 138 °C at 760 mmHg; (18)Vapour Pressure: 6.87 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is flammable. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(/C(=C/C)C)C
(2)InChI:InChI=1/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4+
(3)InChIKey:ZAMCMCQRTZKGDX-SNAWJCMRBH
(4)Std. InChI:InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4+
(5)Std. InChIKey:ZAMCMCQRTZKGDX-SNAWJCMRSA-N