Compound: 3-METHYL-2-BUTANONE
SMILES: O=C(C(C)C)C
InChIKey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N
Synonyms: 3-METHYL-2-BUTANONE, 563-80-4, 3-Methylbutan-2-one, Methyl isopropyl ketone, Isopropyl methyl ketone, 2-Acetylpropane, 2-Butanone, 3-methyl-, MIPK, Ketone, isopropyl methyl, 2-Acetyl propane, Methylbutanone, V8DP6THY5O, DTXSID0022062, NSC-9379, DTXCID802062, 3-methyl butan-2-one, 2-isopentanone, RefChem:817814, 209-264-3, Methyl butanone-2, 2-Methyl-3-butanone, 3-Methylbutanone, methylisopropylketone, NSC 9379, 3-methyl-butan-2-one, MFCD00008919, 3-Methyl-2-butanone, 99%, Methylbutanone (VAN), Caswell No. 555A, CAS-563-80-4, methylisopropyl ketone, 2-Methylbutan-3-one, methyl-isopropyl ketone, EINECS 209-264-3, UNII-V8DP6THY5O, UN2397, EPA Pesticide Chemical Code 044104, AI3-24194, HSDB 7915, isopropylmethylketone, methyl isopropylketone, 3-methyl 2-butanal, 3-methyl 2-butanone, 3-methyl-2 butanone, 3-methylbutane-2-one, isopropyl-methyl ketone, iso-C3H7COCH3, 2-methyl-butan-3-one, Isobutyl-1-methyl ketone, EC 209-264-3, SCHEMBL24113, SCHEMBL128859, SCHEMBL272583, SCHEMBL1935287, SCHEMBL3226988, CHEMBL3183920, SCHEMBL13341480, SCHEMBL29603624, METHYL-2-BUTANONE, 3-, WLN: 1Y1&V1, NSC9379, CHEBI:179699, Tox21_201720, Tox21_302856, LMFA12000024, METHYL ISOPROPYL KETONE [MI], AKOS000119454, EBC-627154, UN 2397, NCGC00249104-01, NCGC00256399-01, NCGC00259269-01, 3-Methyl-2-butanone, analytical standard, BP-20359, DB-003933, 3-Methyl-2-butanone Methyl-isopropyl ketone, M0173, NS00006188, EN300-20390, E80427, 3-Methyl-2-butanone, puriss., >=98.5% (GC), Methyl Isopropyl Ketone (Standard For Gc >99.5%), Q2747560, 2-BUTANONE,3-METHYL   METHYL ISOPROPYL KETONE, 3-Methylbutan-2-one [UN2397]  [Flammable liquid], InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H, F1908-0070, 3-Methyl-2-butanone; Isopropyl methyl ketone (MIPK); 3-methylbutan-2-one
Theoretical properties:
molecular_formula: C5H10O
molecular_weight: 86.13 g/mol
exact_mass: 86.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: The odor threshold lies between 1.9 and 3.1 ppm (6.8 and 11 mg/cu m). Acetone-like odor.
boiling_point: 201 °F at 760 mmHg (USCG, 1999)
melting_point: -134 °F (USCG, 1999)
density: 0.8051 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Very slight (NIOSH, 2024)
flash_point: 43 °F (USCG, 1999)
vapor_pressure: 67.21 mmHg (USCG, 1999)
Descriptions:
pubchem: 3-Methylbutan-2-one is a ketone.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Butanone, also known as methyl ethyl ketone (MEK) or ethyl methyl ketone, is an organic compound with the formula CH3C(O)CH2CH3. This colorless liquid ketone has a sharp, sweet odor reminiscent of acetone. It is produced industrially on a large scale, but occurs in nature only in trace amounts. It is partially soluble in water, and is commonly used as an industrial solvent. It is an isomer of another solvent, tetrahydrofuran.