Reported in EPA TSCA Inventory.

The 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one, with the CAS registry number 79-77-6, is also known as (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one. It belongs to the product categories of Anti-Proliferative Agents; Antitumor Agents; Carthamus Tinctorius (Safflower Oil); Ephedra Sinica; Aspalathus Linearis (Rooibos Tea); Building Blocks; C13 to C14; Cancer Research; Carbonyl Compounds; Chemical Synthesis; Ginkgo Biloba; Ketones; Nutrition Research; Ocimum Basilicum (Basil); Organic Building Blocks; Phytochemicals by Plant (Food/Spice/Herb); Zingiber Officinale (Ginger). Its EINECS registry number is 201-224-3. This chemical's molecular formula is C₁₃H₂₀O and molecular weight is 192.30. What's more, its IUPAC name is called (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-2-one.

Physical properties about 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one are: (1)ACD/LogP: 3.853; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 498.89; (6)ACD/BCF (pH 7.4): 498.89; (7)ACD/KOC (pH 5.5): 2970.55; (8)ACD/KOC (pH 7.4): 2970.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 61.704 cm³; (15)Molar Volume: 203.651 cm³; (16)Polarizability: 24.461×10^-24cm³; (17)Surface Tension: 33.617 dyne/cm; (18)Density: 0.944 g/cm³; (19)Flash Point: 121.291 °C; (20)Enthalpy of Vaporization: 49.226 kJ/mol; (21)Boiling Point: 254.816 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25 °C.

Preparation of 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one: this chemical can be prepared by b-Jonol. This reaction needs reagent manganese dioxide and solvent hexane at ambient temperature. The yield is 70 %.

Uses of 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one: it is used to produce other chemicals. For example, it can react with (2-isocyano-benzyl)-lithium to get 1-(2-isocyano-phenyl)-2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-ol. This reaction needs solvent bis-(2-methoxy-ethyl) ether at temperature of -78 °C. The yield is 98 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and may present an immediate or delayed danger to one or more components of the environment. And it is irritating to eyes and skin. It is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing, gloves. You should avoid releasing to the environment and refer to special instructions/safety data sheet. In case of contacting with eyes, you should 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\C1=C(\CCCC1(C)C)C)C
(2) InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
(3) InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N