Compound: 4-Methyl-2-pentanone
SMILES: O=C(CC(C)C)C
InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N
Synonyms: 4-Methyl-2-pentanone, METHYL ISOBUTYL KETONE, 4-Methylpentan-2-one, 108-10-1, Isopropylacetone, Isobutyl methyl ketone, Hexone, MIBK, 2-Pentanone, 4-methyl-, 2-Methyl-4-pentanone, Shell mibk, 4-Methyl-2-oxopentane, Methylisobutylketon, Isohexanone, Hexon, Metilisobutilchetone, Metyloizobutyloketon, Isobutyl-methylketon, 2-Methylpropyl methyl ketone, Isopropyl acetone, Methyl-isobutyl-cetone, 4-Methyl-2-pentanon, 4-Metilpentan-2-one, Ketone, isobutyl methyl, 4-Methyl-pentan-2-on, FEMA No. 2731, Rcra waste number U161, DTXSID5021889, NSC-5712, U5T7B88CNP, DTXCID701889, 4-methyl 2-pentanone, RefChem:6022, 203-550-1, methylisobutylketone, 4-Methyl-pentan-2-one, MFCD00008938, NSC 5712, methyl isobutylketone, METHYL ISO-BUTYL KETONE, 2-Methyl-4-pentanal, Methyl I-butyl ketone, ethyl iso-butyl ketone, Methyl isobutyl ketone [NF], MIK, Hexon [Czech], Methyl isobutyl ketone (NF), methylisobutyl ketone, 4-Methyl-2-pentanone, >=99%, Caswell No. 574AA, FEMA Number 2731, Isobutyl-methylketon [Czech], Metyloizobutyloketon [Polish], isobutylmethyl ketone, Metilisobutilchetone [Italian], 4-Methyl-2-pentanon [Czech], CCRIS 2052, HSDB 148, Methyl-isobutyl-cetone [French], 4-Metilpentan-2-one [Italian], 4-Methyl-2-pentanone (natural), Methylisobutylketon [Dutch, German], EINECS 203-550-1, UN1245, RCRA waste no. U161, UNII-U5T7B88CNP, EPA Pesticide Chemical Code 044105, BRN 0605399, 4-Methyl-pentan-2-on [Dutch, German], AI3-01229, methyl isobutyl ketone (MIBK), methylisobutyketone, isobutylmethylketone, methylisobutlyketone, i-BuCOMe, methylisobutyl keton, methylisobutyl-keton, Methylpentan-2-one, iso-butylmethylketone, methyl-isobutylketone, 4-methyl-2pentanone, methy isobutyl ketone, methyl isobutyl keton, methyl iso-butylketone, methyl-iso-butylketone, methyl-isobutyl ketone, 4-methylpentane-2-one, iso-C4H9COCH3, Methyl-2-pentanon,4-, 4-methyl- 2-pentanone, 4-Methyl-2-pentanone,, EC 203-550-1, SCHEMBL15458, ISOPROPYLACETONE [MI], 4-01-00-03305 (Beilstein Handbook Reference), SCHEMBL130401, SCHEMBL513898, SCHEMBL645420, CHEMBL285323, SCHEMBL1580340, SCHEMBL2095621, SCHEMBL13341539, CHEBI:82344, NSC5712, Methyl isobutyl ketone, ACS grade, 4-Methyl-2-pentanone, HPLC Grade, Methylisobutylketon(DUTCH, GERMAN), Tox21_201108, WLN: 1Y1 & 1V1, 4-METHYL-2-PENTANONE [FCC], LMFA12000033, METHYLISOBUTYLKETONE [USP-RS], SBB060384, METHYL ISOBUTYL KETONE [HSDB], METHYL ISOBUTYL KETONE [IARC], 4-METHYL-2-PENTANONE [FHFI], AKOS000118793, 4-Methyl-2-pentanone, AR, >=99%, 4-Methyl-2-pentanone, LR, >=99%, METHYL ISOBUTYL KETONE [MART.], UN 1245, 4-Methyl-2-pentanone, >=99%, FCC, METHYL ISOBUTYL KETONE [USP-RS], NCGC00091475-01, NCGC00091475-02, NCGC00258660-01, 4-Methyl-pentan-2-on(DUTCH, GERMAN), BP-13453, CAS-108-10-1, 4-Methyl-2-pentanone, analytical standard, M0389, NS00009293, ST51046575, 4-Methyl-2-pentanone, technical grade, 95%, 4-Methyl-2-pentanone, for HPLC, >=99.5%, C19263, D04989, 4-Methyl-2-pentanone, ACS reagent, >=98.5%, F044985, Q418104, 4-Methyl-2-pentanone, SAJ first grade, >=99.0%, Methyl isobutyl ketone, p.a., ACS reagent, 98.5%, 2-PENTANONE,4-METHYL   METHYL,ISOBUTYL,KETONE, 4-Methyl-2-pentanone, JIS special grade, >=99.5%, Methyl isobutyl ketone [UN1245]  [Flammable liquid], F1908-0087, InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H, 4-Methyl-2-pentanone, puriss. p.a., ACS reagent, >=99.0% (GC), 4-Methyl-2-pentanone, puriss., ACS reagent, reag. Ph. Eur., 99.0%, 4-Methyl-2-pentanone, suitable for atomic absorption spectrometry, >=99.5%, Methyl isobutyl ketone, United States Pharmacopeia (USP) Reference Standard, Methyl Isobutyl Ketone, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C6H12O
molecular_weight: 100.16 g/mol
exact_mass: 100.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Pleasant odor
boiling_point: 243 to 244 °F at 760 mmHg (NTP, 1992)
melting_point: -120.5 °F (NTP, 1992)
density: 0.802 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 to 5 mg/mL at 70 °F (NTP, 1992)
flash_point: 73 °F (NTP, 1992)
vapor_pressure: 5 mmHg at 67.5 °F ; 10 mmHg at 86.0 °F (NTP, 1992)
Descriptions:
pubchem: Methyl Isobutyl Ketone (MIBK) can cause cancer according to California Labor Code. It can cause developmental toxicity according to The Environmental Protection Agency (EPA).
chembl: METHYL ISOBUTYL KETONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Methyl isobutyl ketone (MIBK, 4-methylpentan-2-one) is an organic compound with the condensed chemical formula (CH3)2CHCH2C(O)CH3. This ketone is a colourless liquid that is used as a solvent for gums, resins, paints, varnishes, lacquers, and nitrocellulose.