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6-Methyl-3,5-heptadien-2-one

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Name

6-Methyl-3,5-heptadien-2-one

EINECS 216-507-7
CAS No. 1604-28-0 Density 0.858 g/cm3
PSA 17.07000 LogP 2.09780
Solubility Miscible with alcohol. Immiscible with water. Melting Point N/A
Formula C8H12O Boiling Point 193.45 °C at 760 mmHg
Molecular Weight 124.183 Flash Point 68.582 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 10-36/38
Molecular Structure Molecular Structure of 1604-28-0 (6-METHYL-3,5-HEPTADIEN-2-ONE) Hazard Symbols R10:Flammable.; R36/38:Irritating to eyes and skin.;
Synonyms

2-Methyl-2,4-heptadien-6-one;6-Methylhepta-3,5-dien-2-one;6-Methylhepta-3,5-diene-2-one;

Article Data 19

6-Methyl-3,5-heptadien-2-one Specification

The 3,5-Heptadien-2-one,6-methyl- is an organic compound with the formula C8H12O. The IUPAC name of this chemical is (3E)-6-Methylhepta-3,5-dien-2-one. With the CAS registry number 1604-28-0, it is also named as 5-Heptadien-2-one,6-methyl-3. The product's category is Ketone Flavor. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about 3,5-Heptadien-2-one,6-methyl- are: (1)ACD/LogP: 1.66; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07 Å2; (5)Index of Refraction: 1.452; (6)Molar Refractivity: 39.09 cm3; (7)Molar Volume: 144.7 cm3; (8)Polarizability: 15.5×10-24 cm3; (9)Surface Tension: 25.7 dyne/cm; (10)Density: 0.857 g/cm3; (11)Flash Point: 68.6 °C; (12)Enthalpy of Vaporization: 42.96 kJ/mol; (13)Boiling Point: 193.5 °C at 760 mmHg; (14)Vapour Pressure: 0.464 mmHg at 25 °C.

Preparation: this chemical can be prepared by 6-Methyl-hepta-1,2,5-trien-4-ol. This reaction will need catalyst MoO2(acac)2 and solvent CH2Cl2. The reaction time is 10 min with reaction temperature of 25 °C. The yield is about 90%.

Uses of 3,5-Heptadien-2-one,6-methyl-: it can be used to produce (RS)-(E)-2,6-Dimethyl-1,2-epoxy-3,5-heptadiene at temperature of 0 °C. It will need reagent Dimsyl sodium and solvents Tetrahydrofuran; Dimethylsulfoxide with reaction time of 1 hour. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Besides, this chemical is irritating to eyes and skin. When you are using it, wear suitable protective. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+
(2)InChIKey: KSKXSFZGARKWOW-GQCTYLIABO
(3)Std. InChI: InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+
(4)Std. InChIKey: KSKXSFZGARKWOW-GQCTYLIASA-N

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