Ethyl trans-3-hexenoate - CAS 2396-83-0
Catalog: |
BB018269 |
Product Name: |
Ethyl trans-3-hexenoate |
CAS: |
2396-83-0 |
Synonyms: |
ethyl (E)-hex-3-enoate |
IUPAC Name: | ethyl (E)-hex-3-enoate |
Description: | Ethyl trans-3-hexenoate (CAS# 2396-83-0 ) is a useful research chemical. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CCC=CCC(=O)OCC |
InChI: | InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+ |
InChI Key: | VTSFIPHRNAESED-AATRIKPKSA-N |
Boiling Point: | 166.50 °C (EPI 4.0) |
Purity: | 97.0 % |
Density: | 0.896 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: | MFCD00036524 |
LogP: | 1.90580 |
Refractive Index: | 1.421 : 1.428 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 |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
CN-111217769-A | Method for synthesizing epoxy compound by catalyzing olefin epoxidation through nano aluminum oxide | 20200229 |
WO-2020252334-A1 | Sake replicas produced from individual components | 20190613 |
WO-2020130059-A1 | Flavor composition | 20181221 |
JP-2020100802-A | Fragrance composition | 20181221 |
PMID | Publication Date | Title | Journal |
21694674 | 20110620 | Characteristic aroma compounds from different pineapple parts | Molecules (Basel, Switzerland) |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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