trans-2-Decenal - CAS 3913-81-3
Catalog: |
BB023857 |
Product Name: |
trans-2-Decenal |
CAS: |
3913-81-3 |
Synonyms: |
(E)-dec-2-enal |
IUPAC Name: | (E)-dec-2-enal |
Description: | trans-2-Decenal (CAS# 3913-81-3) is a useful starting material for organic synthesis. |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CCCCCCCC=CC=O |
InChI: | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+ |
InChI Key: | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
Boiling Point: | 230.00 °C (EPI 4.0) |
Melting Point: | -8.92 °C at 760.00 mm Hg |
Flash Point: | 96°C |
Purity: | 96.0 % (sum of isomers) |
Density: | 0.841 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Slightly yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00014679 |
LogP: | 3.10200 |
Refractive Index: | 1.452 : 1.457 at 20 deg C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
25619643 | 20150605 | Human prostaglandin reductase 1 (PGR1): Substrate specificity, inhibitor analysis and site-directed mutagenesis | Chemico-biological interactions |
22639088 | 20120901 | Defluorination of 4-fluorophenol by cytochrome P450(BM₃)-F87G: activation by long chain fatty aldehydes | Biotechnology letters |
22581155 | 20120501 | Millipedes that smell like bugs: (E)-alkenals in the defensive secretion of the julid diplopod Allajulus dicentrus | Journal of chemical ecology |
22444536 | 20120413 | Novel methods for the quantification of (2E)-hexadecenal by liquid chromatography with detection by either ESI QTOF tandem mass spectrometry or fluorescence measurement | Analytica chimica acta |
22224661 | 20120201 | Nematicidal activity of (E,E)-2,4-decadienal and (E)-2-decenal from Ailanthus altissima against Meloidogyne javanica | Journal of agricultural and food chemistry |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 154.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.135765193 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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