7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-
Product Information
Molecular Formula
C9H14 O2
Molecular Weight
154.21
Description
Isophorone oxide is a natural product found in Nicotiana tabacum.
Synonyms
ISOPHORONE OXIDE; 4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE; 7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-(6CI,7CI,8CI,9CI); 2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone; 2,3-Epoxy-3,5,5-trimethylcyclohexane-1-one
IUPAC Name
4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
SMILES
CC1(CC(=O)C2C(C1)(O2)C)C
InChI
InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
InChI Key
ROTNQFPVXVZSRL-UHFFFAOYSA-N
Boiling Point
75-76 °C/6 mmHg (lit.)
Flash Point
181.4 °CF - closed cup
Purity
>98.0%(GC)
Density
1.056g/cm3
Refractive Index
n20/D 1.453 (lit.)
Safety Information
Hazards
H302
Computed Properties
XLogP3
1.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
154.099379685 g/mol
Monoisotopic Mass
154.099379685 g/mol
Topological Polar Surface Area
29.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
220
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113941362-A | Acid-base double-site catalyst for carbon-carbon coupling reaction and application thereof | 2021-10-19 |
| CN-113731393-A | Preparation method and application of acetone gas-phase condensation aluminum-magnesium composite oxide catalyst | 2021-09-26 |
| CN-112568412-A | Mung bean type edible essence containing isophorone oxide | 2020-12-18 |
| CN-112220095-A | Cigarette production method based on temperature of moisture regain area and cigarette | 2020-09-29 |
| CN-112136934-A | Honey and green plum flavored purple perilla tea beverage and preparation method thereof | 2020-09-25 |
| JP-2022039632-A | Conductive polymer dispersion liquid and its manufacturing method, and a method for manufacturing a conductive film | 2020-08-28 |
| JP-2022035597-A | Conductive polymer-containing liquid and its manufacturing method, and conductive film and its manufacturing method | 2020-08-21 |
| JP-2022029136-A | Conductive polymer-containing liquid and its manufacturing method, and conductive film and its manufacturing method | 2020-08-04 |
| JP-2022021065-A | Conductive polymer-containing liquid and its manufacturing method, and conductive film manufacturing method | 2020-07-21 |
| US-2021405504-A1 | Nonlinear Optical Chromophores Having a Diamondoid Group Attached Thereto, Methods of Preparing the Same, and Uses Thereof | 2020-06-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5413 | 1975-09-01 | pH dependence of the binding constants of N-acetylglucosamine monomers to hen and turkey egg-white lysozymes | Journal of biochemistry |
