4-Ethylbenzaldehyde - CAS 4748-78-1
Catalog: |
BB026316 |
Product Name: |
4-Ethylbenzaldehyde |
CAS: |
4748-78-1 |
Synonyms: |
4-ethylbenzaldehyde |
IUPAC Name: | 4-ethylbenzaldehyde |
Description: | 4-Ethylbenzaldehyde (CAS# 4748-78-1) is a useful research chemical. |
Molecular Weight: | 134.18 |
Molecular Formula: | C9H10O |
Canonical SMILES: | CCC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3 |
InChI Key: | QNGNSVIICDLXHT-UHFFFAOYSA-N |
Boiling Point: | 221 °C |
Flash Point: | 92°C |
Purity: | 96% |
Density: | 0.979 g/cm3 |
Solubility: | Not miscible or difficult to mix in water. Soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006956 |
LogP: | 2.06150 |
Refractive Index: | 1.537-1.541 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (84.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22161134 | 20120701 | Subacute toxicity assessment of water disinfection byproducts on zebrafish | Pathology oncology research : POR |
21375334 | 20110414 | Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction | Journal of medicinal chemistry |
21876772 | 20110101 | Olfactory cues from plants infected by powdery mildew guide foraging by a mycophagous ladybird beetle | PloS one |
21579409 | 20100512 | 2,4,6,8-Tetra-kis(4-ethyl-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one | Acta crystallographica. Section E, Structure reports online |
19508787 | 20090601 | Volatiles released from Vaccinium corymbosum were attractive to Aegorhinus superciliosus (Coleoptera: Curculionidae) in an olfactometric bioassay | Environmental entomology |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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