Butyl levulinate - CAS 2052-15-5
Catalog: |
BB016041 |
Product Name: |
Butyl levulinate |
CAS: |
2052-15-5 |
Synonyms: |
butyl 4-oxopentanoate |
IUPAC Name: | butyl 4-oxopentanoate |
Description: | Butyl levulinate (CAS# 2052-15-5) is used in preparation and application of magnetic nano-solid acid catalyst iron oxide-polydopamine-sulfonic acid. |
Molecular Weight: | 172.22 |
Molecular Formula: | C9H16O3 |
Canonical SMILES: | CCCCOC(=O)CCC(=O)C |
InChI: | InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3 |
InChI Key: | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
Boiling Point: | 237.50 ℃ (EPI 4.0) |
Flash Point: | 91°C |
Purity: | 97.0 % |
Density: | 0.974 g/cm3 |
Solubility: | Slightly soluble in water. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00009449 |
LogP: | 1.69890 |
Refractive Index: | 1.423 : 1.433 at 20 deg C |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
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 |
Publication Number | Title | Priority Date |
CN-113181932-A | Bifunctional biomass carbon-based catalyst and application thereof in catalytic preparation of levulinate | 20210511 |
CN-112694778-A | Paint remover for biological material preparation | 20210108 |
CN-112642478-A | Titanium dioxide nanotube surface grafting type sulfamic acid catalyst, preparation method and application | 20201209 |
CN-111944776-A | Carbonyl reductase and application thereof | 20200903 |
CN-111744553-A | Zirconium dodecylbenzene sulfonate catalyst and application thereof in furfuryl alcohol alcoholysis reaction | 20200723 |
PMID | Publication Date | Title | Journal |
22105964 | 20111216 | Conversion of biomass-derived levulinate and formate esters into γ-valerolactone over supported gold catalysts | ChemSusChem |
21226220 | 20110117 | Efficient conversion of furfuryl alcohol into alkyl levulinates catalyzed by an organic-inorganic hybrid solid acid catalyst | ChemSusChem |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.109944368 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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