CAS No.10276-21-8,4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10276-21-8
Name:	4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE
Article Data:	59

Formula:	C₉H₁₄O₂
Molecular Weight:	154.209
Synonyms:	2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone;2,3-Epoxy-3,5,5-trimethylcyclohexanone;3,5,5-Trimethyl-2,3-epoxycyclohexanone;3,5,5-Trimethyl-2-cyclohexenone oxide;4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one;Isophorone epoxide;Isophoroneoxide;NSC 63367;a-Isophorone epoxide;
Density:	1.056 g/cm³
Boiling Point:	208.6 °C at 760 mmHg
Flash Point:	76.5 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-40
Safety:	23-36
PSA:	29.60000
LogP:	1.53300

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Specification

The 7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-, with the CAS registry number 10276-21-8, is also known as NSC63367. It belongs to the product categories of Epoxyde; Epoxide Monomers; Monomers; Polymer Science. This chemical's molecular formula is C₉H₁₄O₂ and molecular weight is 154.20626. Its IUPAC name is called 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one.

Physical properties of 7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.79; (4)ACD/BCF (pH 5.5): 2.33; (5)ACD/BCF (pH 7.4): 2.33; (6)ACD/KOC (pH 5.5): 63.71; (7)ACD/KOC (pH 7.4): 63.71; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.479; (10)Molar Refractivity: 41.38 cm³; (11)Molar Volume: 145.9 cm³; (12)Surface Tension: 32.1 dyne/cm; (13)Density: 1.056 g/cm³; (14)Flash Point: 76.5 °C; (15)Enthalpy of Vaporization: 44.49 kJ/mol; (16)Boiling Point: 208.6 °C at 760 mmHg; (17)Vapour Pressure: 0.212 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5,5-trimethyl-cyclohex-2-enone. This reaction will need reagent H₂O₂, NaOH and solvent ethanol. The reaction temperature is 0 - 20 °C.

Uses of 7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-: it can be used to produce 4,4-dimethyl-hept-6-yn-2-one. This reaction will need reagent TsNHNH₂ and solvent CH₂Cl₂, CCl₄.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, you must rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC(=O)C2C(C1)(O2)C)C
(2)InChI: InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
(3)InChIKey: ROTNQFPVXVZSRL-UHFFFAOYSA-N