Dihydro-4-methyl-2(3H)-furanone - CAS 1679-49-8
Catalog: |
BB060647 |
Product Name: |
Dihydro-4-methyl-2(3H)-furanone |
CAS: |
1679-49-8 |
Synonyms: |
3-Methylbutyrolactone; 4-methyloxolan-2-one; Dihydro-4-methyl 2(3H)-furanone; 2(3H)-Furanone, dihydro-4-methyl-; 4-Methyldihydrofuran-2(3H)-one; dihydro-4-methyl-2(3H)-Furanone; 4-Methyltetrahydrofuran-2-one; 4-Methyldihydro-2(3H)-furanone |
IUPAC Name: | 4-methyloxolan-2-one |
Description: | Dihydro-4-methyl-2(3H)-furanone (cas# 1679-49-8) was identified as an aroma contributing compound in a flavour profiling of Wild Harenna coffee beans. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | CC1CC(=O)OC1 |
InChI: | InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3 |
InChI Key: | ALZLTHLQMAFAPA-UHFFFAOYSA-N |
Boiling Point: | 206.60 °C at 760.00 mm Hg (est) |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C |
LogP: | -0.270 (est) |
References: | Ascrizzi, R., et al. Eur. Food Res. Technol., 246, 643 (2020). |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21167855 | 20110201 | Studies on the BF3·Et2O catalyzed Baeyer-Villiger reaction of spiroketalic steroidal ketones | Steroids |
Complexity: | 88.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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