Reported in EPA TSCA Inventory.

The 6-Methyl-5-hepten-2-one, with the CAS registry number 110-93-0, is also known as Methylheptenone. It belongs to the product categories of Alphabetical Listings; Certified Natural Products Flavors and Fragrances; Flavors and Fragrances; M-N; 7 to C8; Carbonyl Compounds; Ketones. Its EINECS registry number is 203-816-7. This chemical's molecular formula is C₈H₁₄O and molecular weight is 126.2. What's more, its IUPAC name is the same with its product name. When you are dealing with this chemical, you should be very careful. This chemical is flammable. So you should keep away from sources of ignition.

Physical properties about 6-Methyl-5-hepten-2-one are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 328.34; (8)ACD/KOC (pH 7.4): 328.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 39.04 cm³; (15)Molar Volume: 151.1 cm³; (16)Surface Tension: 25.2 dyne/cm; (17)Density: 0.835 g/cm³; (18)Flash Point: 50.6 °C; (19)Enthalpy of Vaporization: 40.96 kJ/mol; (20)Boiling Point: 173.3 °C at 760 mmHg; (21)Vapour Pressure: 1.28 mmHg at 25 °C.

Preparation of 6-Methyl-5-hepten-2-one: this chemical can be prepared by Acetoacetic acid-(1,1-dimethyl-allyl ester). This reaction needs reagent aluminium isopropylate at temperature of 160 °C.

Uses of 6-Methyl-5-hepten-2-one: (1) it is used as the raw material of synthetic spices and used in baked goods, meat, sugar, beverage; (2) it is used to produce other chemicals. For example, it can react with Phenylmagnesium bromide to get 6-Methyl-2-phenyl-hept-5-en-2-ol. The reaction occurs with reagent diethyl ether at ambient temperature. The yield is 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)CC\C=C(/C)C
(2) InChI: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
(3) InChIKey: UHEPJGULSIKKTP-UHFFFAOYSA-N

The toxicity data is as follows: