2,6-Dimethyl-4H-pyran-4-one

The 4H-Pyran-4-one,2,6-dimethyl- is an organic compound with the formula C₇H₈O₂. The IUPAC name of this chemical is 2,6-dimethylpyran-4-one. With the CAS registry number 1004-36-0, it is also named as 2,6-Dimethyl-4H-pyran-4-one. The product's categories are Electronic Chemicals; Ring Systems. Besides, it is a white to beige crystalline powder or crystals, which should be stored in a closed cool and dry place.

Physical properties about 4H-Pyran-4-one,2,6-dimethyl- are: (1)ACD/LogP: 0.10; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): 0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.94; (7)ACD/KOC (pH 7.4): 26.94; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.485; (11)Molar Refractivity: 33.4 cm³; (12)Molar Volume: 116.5 cm³; (13)Polarizability: 13.24×10^-24cm³; (14)Surface Tension: 30.5 dyne/cm; (15)Density: 1.065 g/cm³; (16)Flash Point: 103.4 °C; (17)Enthalpy of Vaporization: 48.62 kJ/mol; (18)Boiling Point: 249 °C at 760 mmHg; (19)Vapour Pressure: 0.0235 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid diethyl ester. This reaction will need reagent diluted sulfuric acid.

Uses of 4H-Pyran-4-one,2,6-dimethyl-: it can be used to produce 2,6-dimethyl-pyran-4-thione. It will need reagent dimethyl sulfate and aqueous sodium sulfide.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1/C=C(\O/C(=C/1)C)C
(2)InChI: InChI=1/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
(3)InChIKey: VSYFZULSKMFUJJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
(5)Std. InChIKey: VSYFZULSKMFUJJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01722,
mouse	LD50	oral	1670mg/kg (1670mg/kg)		Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 12, Pg. 520, 1971.