5-Hexenyl acetate - CAS 5048-26-0
Catalog: |
BB027074 |
Product Name: |
5-Hexenyl acetate |
CAS: |
5048-26-0 |
Synonyms: |
hex-5-enyl acetate |
IUPAC Name: | hex-5-enyl acetate |
Description: | 5-Hexenyl acetate (CAS# 5048-26-0) is a useful research chemical. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC(=O)OCCCCC=C |
InChI: | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3H,1,4-7H2,2H3 |
InChI Key: | MPLWNENKBSBMFN-UHFFFAOYSA-N |
Boiling Point: | 173-174 °C (lit.) |
Density: | 0.883 g/mL at 25°C(lit.) |
MDL: | MFCD00060856 |
LogP: | 1.90580 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021130622-A2 | Ruthenium complex and method of conducting olefin metathesis reactions with formation of an internal bond using the ruthenium complex as a catalyst | 20191223 |
CN-110396116-B | [ N, O ] bidentate nickel and palladium complex of ketone-imidazoline-2-imine ligand, and preparation method and application thereof | 20190711 |
US-2020108381-A1 | Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis | 20181009 |
WO-2020076920-A1 | Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis | 20181009 |
EP-3864021-A1 | Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis | 20181009 |
PMID | Publication Date | Title | Journal |
18408973 | 20080501 | Defense-inducing volatiles: in search of the active motif | Journal of chemical ecology |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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