Valerophenone - CAS 1009-14-9
Catalog: |
BB000386 |
Product Name: |
Valerophenone |
CAS: |
1009-14-9 |
Synonyms: |
1-Phenyl-1-pentanone; Butyl phenyl ketone; n-Butyl phenyl ketone; n-Valerophenone; NSC 58959; Pentanophenone; Phenyl butyl ketone |
IUPAC Name: | 1-phenylpentan-1-one |
Description: | Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is also an inhibitor of the enzyme carbonyl reductase. It serves as a potent antagonist for the histamine H1 receptor, effectively inhibiting the action of histamine and preventing the release of additional mediators such as prostaglandins and leukotrienes. |
Molecular Weight: | 162.23 |
Molecular Formula: | C11H14O |
Canonical SMILES: | CCCCC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
InChI Key: | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
Boiling Point: | 134-135 °C at 25 Torr |
Melting Point: | -9.4 °C |
Flash Point: | 102°C |
Purity: | >95% |
Density: | 0.992 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Colorless to light yellow or light orange clear liquid |
Storage: | Store at RT |
MDL: | MFCD00009480 |
LogP: | 3.05950 |
Refractive Index: | 1.5143-1.5163 |
Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases, plastics. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22822671 | 20120201 | [Analysis of head volatile constituents of Polyonum cuspidatum flower by HS-GC/MS] | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials |
21882845 | 20111020 | Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: a combined experimental-computational approach | The journal of physical chemistry. A |
21512717 | 20110901 | Photochemistry of 2-diphenylmethoxyacetophenone. Direct detection of a long-lived enol from a Norrish Type II photoreaction | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
21754762 | 20110601 | (E)-[({[(3-Methyl-phen-yl)meth-yl]sulfan-yl}methane-thio-yl)amino](1-phenyl-pentyl-idene)amine | Acta crystallographica. Section E, Structure reports online |
21222478 | 20110204 | The reactivity of the 1,4-biradical formed by Norrish type reactions of aqueous valerophenone: a QM/MM-based FEP study | The Journal of organic chemistry |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.104465066 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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