4-Ethylcyclohexanone - CAS 5441-51-0
Catalog: |
BB028650 |
Product Name: |
4-Ethylcyclohexanone |
CAS: |
5441-51-0 |
Synonyms: |
4-ethylcyclohexan-1-one |
IUPAC Name: | 4-ethylcyclohexan-1-one |
Description: | 4-Ethylcyclohexanone (CAS# 5441-51-0) is a useful research chemical. |
Molecular Weight: | 126.20 |
Molecular Formula: | C8H14O |
Canonical SMILES: | CCC1CCC(=O)CC1 |
InChI: | InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3 |
InChI Key: | OKSDJGWHKXFVME-UHFFFAOYSA-N |
Boiling Point: | 194 °C |
Purity: | 97 % |
Density: | 0.916 g/cm3 |
Appearance: | Colorless to almost colorless clear liquid |
Storage: | Store under inert gas |
MDL: | MFCD00001644 |
LogP: | 2.15570 |
Refractive Index: | 1.45 |
GHS Hazard Statement: | H227 (50%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461652-A | Method for preparing epsilon-caprolactone by catalytically oxidizing cyclohexanone in presence of molecular oxygen | 20210707 |
CN-113198472-A | Magnetic catalyst and preparation and application thereof | 20210413 |
CN-112125788-A | Preparation method of liquid crystal monomer compound containing difluoromethyl ether bridge bond | 20201019 |
WO-2021199940-A1 | Manufacturing method for resist composition and pattern forming method | 20200331 |
WO-2021182182-A1 | Treatment liquid and pattern forming method | 20200312 |
PMID | Publication Date | Title | Journal |
22590340 | 20120501 | 5-Chloro-4'-ethyl-3H-spiro-[1,3-benzo-thia-zole-2,1'-cyclo-hexa-ne] | Acta crystallographica. Section E, Structure reports online |
21201146 | 20080913 | 8-Ethyl-2-hydr-oxy-2-methyl-4-morpholinoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one | Acta crystallographica. Section E, Structure reports online |
16834281 | 20051006 | Enolate structure and electron affinity | The journal of physical chemistry. A |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.104465066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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