Dihexyl ketone - CAS 462-18-0
Catalog: |
BB026102 |
Product Name: |
Dihexyl ketone |
CAS: |
462-18-0 |
Synonyms: |
tridecan-7-one |
IUPAC Name: | tridecan-7-one |
Description: | Dihexyl ketone (CAS# 462-18-0) is an isomer of 2-Tridecanone which is a flavor component of many food products. 7-Tridecanone, however, is much less distributed. It is also used to study the toxicity of narcotic industrial chemicals. |
Molecular Weight: | 198.34 |
Molecular Formula: | C13H26O |
Canonical SMILES: | CCCCCCC(=O)CCCCCC |
InChI: | InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3 |
InChI Key: | ULIAPOFMBCCSPE-UHFFFAOYSA-N |
Boiling Point: | 264 °C (lit.) |
Melting Point: | 30-32.5 °C (lit.) |
Purity: | 95 % |
Density: | 0.825 g/mL at 25°C(lit.) |
MDL: | MFCD00009543 |
LogP: | 4.49630 |
Publication Number | Title | Priority Date |
JP-2021110806-A | Self-luminous photosensitive resin composition, color filter, and image display device | 20200109 |
US-2021191261-A1 | Organically modified metal oxide nanoparticles, organically modified metal oxide nanoparticles-containing solution, organically modified metal oxide nanoparticles-containing resist composition, and resist pattern forming method | 20191224 |
US-2021191268-A1 | Resist composition and method of forming resist pattern | 20191218 |
CN-111848303-A | Application of chitosan functionalized nano-selenium composite bacterium enzyme system in improvement of tea yield and quality | 20191217 |
US-2021181632-A1 | Resist composition and method of forming resist pattern | 20191211 |
PMID | Publication Date | Title | Journal |
22970932 | 20121016 | Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors | Environmental science & technology |
17505530 | 20070101 | Spectroscopic, thermal and biological studies on some trivalent ruthenium and rhodium NS chelating thiosemicarbazone complexes | Bioinorganic chemistry and applications |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.198365449 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.198365449 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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