Ethyl 2-methyl-4-pentenoate - CAS 53399-81-8
Catalog: |
BB028197 |
Product Name: |
Ethyl 2-methyl-4-pentenoate |
CAS: |
53399-81-8 |
Synonyms: |
ethyl 2-methylpent-4-enoate |
IUPAC Name: | ethyl 2-methylpent-4-enoate |
Description: | Ethyl 2-Methyl-4-pentenoate, can be used as flavoring and fragrant agent. It can also be used for the synthesis of Phthalazines and Pyridazino-aromatics. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CCOC(=O)C(C)CC=C |
InChI: | InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3 |
InChI Key: | BDBGKYIBDXAVMX-UHFFFAOYSA-N |
Boiling Point: | 155.46 °C (EPI 4.0) |
Flash Point: | 41°C |
Purity: | 98.0 % |
Density: | 0.873 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00010235 |
LogP: | 1.76170 |
Refractive Index: | 1.412 : 1.419 at 20 deg C |
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 |
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Complexity: | 118 |
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: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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