CAS No.1604-28-0,6-METHYL-3,5-HEPTADIEN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1604-28-0
Name:	6-METHYL-3,5-HEPTADIEN-2-ONE
Article Data:	19

Formula:	C₈H₁₂O
Molecular Weight:	124.183
Synonyms:	2-Methyl-2,4-heptadien-6-one;6-Methylhepta-3,5-dien-2-one;6-Methylhepta-3,5-diene-2-one;
EINECS:	216-507-7
Density:	0.858 g/cm³
Boiling Point:	193.45 °C at 760 mmHg
Flash Point:	68.582 °C
Solubility:	Miscible with alcohol. Immiscible with water.
Hazard Symbols:	R10:Flammable.; R36/38:Irritating to eyes and skin.;
Risk Codes:	10-36/38
Safety:	26-36
PSA:	17.07000
LogP:	2.09780

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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