Cyclobutanone - CAS 1191-95-3
Catalog: |
BB004430 |
Product Name: |
Cyclobutanone |
CAS: |
1191-95-3 |
Synonyms: |
cyclobutanone |
IUPAC Name: | cyclobutanone |
Description: | Cyclobutanone (CAS# 1191-95-3) is a member of cycloketone compounds that have potential genotoxic and cytotoxic effects and are most commonly found in irradiated food. |
Molecular Weight: | 70.09 |
Molecular Formula: | C4H6O |
Canonical SMILES: | C1CC(=O)C1 |
InChI: | InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2 |
InChI Key: | SHQSVMDWKBRBGB-UHFFFAOYSA-N |
Boiling Point: | 99 °C |
Melting Point: | -50.9 °C |
Purity: | > 96.0 % (GC) |
Density: | 0.938 g/cm3 |
Appearance: | Colorless liquid |
Storage: | 0-6 °C |
MDL: | MFCD00001332 |
LogP: | 0.73940 |
Vapor Pressure: | 43.0 [mmHg] |
GHS Hazard Statement: | H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113292535-A | Method for preparing apaluamide intermediate and apaluamide | 20210618 |
CN-113185872-A | Fluorine-containing release coating and preparation method thereof | 20210610 |
CN-113209930-A | Aldehyde condensation reaction equipment and reaction method | 20210526 |
CN-113121400-A | Method for preparing 2-pyrrolidone compound | 20210520 |
CN-113214067-A | Preparation method of indanone compounds | 20210508 |
PMID | Publication Date | Title | Journal |
22950514 | 20120926 | Intramolecular Diels-Alder reactions of cycloalkenones: translation of high endo selectivity to trans junctions | Journal of the American Chemical Society |
22828583 | 20120907 | Effect of alicyclic ring size on the photophysical and photochemical properties of bis(arylidene)cycloalkanone compounds | Physical chemistry chemical physics : PCCP |
22801041 | 20120901 | Facial and lower cranial neuropathies after preoperative embolization of jugular foramen lesions with ethylene vinyl alcohol | Otology & neurotology : official publication of the American Otological Society, American Neurotology Society [and] European Academy of Otology and Neurotology |
22651103 | 20120615 | Intramolecular σ-bond metathesis between carbon-carbon and silicon-silicon bonds | Organic letters |
22537557 | 20120601 | A theoretical study of cyclohexyne addition to carbonyl-Cα bonds: allowed and forbidden electrocyclic and nonpericyclic ring-openings of strained cyclobutenes | The Journal of organic chemistry |
Complexity: | 50.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 70.041864811 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 70.041864811 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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