3-Hydroxy-3-methyl-2-butanone - CAS 115-22-0
Catalog: |
BB003512 |
Product Name: |
3-Hydroxy-3-methyl-2-butanone |
CAS: |
115-22-0 |
Synonyms: |
3-hydroxy-3-methylbutan-2-one |
IUPAC Name: | 3-hydroxy-3-methylbutan-2-one |
Description: | 3-Hydroxy-3-methyl-2-butanone (CAS# 115-22-0) is a useful research chemical compound. |
Molecular Weight: | 102.13 |
Molecular Formula: | C5H10O2 |
Canonical SMILES: | CC(=O)C(C)(C)O |
InChI: | InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3 |
InChI Key: | BNDRWEVUODOUDW-UHFFFAOYSA-N |
Boiling Point: | 140-141 °C |
Purity: | 95 % |
Density: | 0.971 g/cm3 |
Appearance: | Clear colourless to light yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00004460 |
LogP: | 0.34630 |
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 |
CN-113321644-A | Supramolecular photothermal agent compound with stimulus responsiveness and composition and application thereof | 20210624 |
CN-113336743-A | Compound with active and passive dual targeting, and pharmaceutical composition and application thereof | 20210624 |
CN-113336728-A | Carbon monoxide fluorescent micelle probe and application | 20210412 |
CN-111909378-A | Fluorinated polyurethane imide electro-optic waveguide material | 20200801 |
CN-111233801-A | Colorimetric probe for rapidly detecting solvent components and preparation method and application thereof | 20200306 |
PMID | Publication Date | Title | Journal |
21699250 | 20110805 | A remarkable multicomponent cascade sequence for the formation of a spirocyclic polyether | Organic letters |
21182788 | 20101223 | Constraint-based modeling analysis of the metabolism of two Pelobacter species | BMC systems biology |
16366636 | 20051229 | Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules | The journal of physical chemistry. A |
11857760 | 20020201 | Structurally diagnostic ion-molecule reactions: acylium ions with alpha-, beta- and gamma-hydroxy ketones | Journal of mass spectrometry : JMS |
Complexity: | 84.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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