7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-

Inquiry

Molecular Formula:

C9H14 O2

Molecular Weight:

154.21

CAS Number:

10276-21-8

Catalog Number:

10276-21-8

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

Canonical 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 ℃/6 mmHg (lit.)

Flash Point

181.4 ℃F - 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

154.099379685 g/mol

Monoisotopic Mass

154.099379685 g/mol

Topological Polar Surface Area

29.6Å²

Heavy Atom Count

Formal Charge

Complexity

220

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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