Compound: 2-Pentanone
SMILES: O=C(CCC)C
InChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-N
Synonyms: 2-Pentanone, 107-87-9, PENTAN-2-ONE, METHYL PROPYL KETONE, Ethyl acetone, Ethylacetone, Methyl n-propyl ketone, Propyl methyl ketone, Metylopropyloketon, Methylpropyl ketone, Methyl-propyl-cetone, FEMA No. 2842, FEMA Number 2842, 4-methyl-2-butanone, Methyl-n-propyl ketone, DTXSID0021888, AI3-32118, NSC-5350, I97392I10V, DTXCID301888, CHEBI:16472, RefChem:88968, 203-528-1, Pentanone, pentanone-2, NSC 5350, n-propyl methyl ketone, MFCD00009400, n-C3H7COCH3, 2-Pentanone (natural), Metylopropyloketon [Polish], CAS-107-87-9, Methyl-propyl-cetone [French], HSDB 158, EINECS 203-528-1, UN1249, BRN 0506058, 2-pentanal, UNII-I97392I10V, 3bh3, EC 203-528-1, 2-PENTANONE [FCC], 2-PENTANONE [FHFI], SCHEMBL10577, 4-01-00-03271 (Beilstein Handbook Reference), Methyl propyl ketone [UN1249] [Flammable liquid], CHEMBL45345, SCHEMBL128113, SCHEMBL128923, SCHEMBL129947, SCHEMBL199643, SCHEMBL865687, SCHEMBL5403108, SCHEMBL6895673, SCHEMBL8627389, SCHEMBL9144668, WLN: 3V1, SCHEMBL14763431, 2-Pentanone, analytical standard, FEMA 2842, NSC5350, METHYL PROPYL KETONE [MI], METHYL PROPYL KETONE [HSDB], 2-Pentanone, for HPLC, 99.5%, Tox21_201670, Tox21_303016, LMFA12000003, 2-Pentanone, >=98%, FCC, FG, 2-Pentanone, reagent grade, >=90%, AKOS000121554, EBC-627096, MSK014036-100A, UN 1249, 2-Pentanone, >=99.0%, natural, FG, MSK014036-1000A, NCGC00249095-01, NCGC00256617-01, NCGC00259219-01, FP139318, 2-Pentanone, ultrapure grade, >=99.5%, NS00009081, P0060, EN300-21239, C01949, 2-Pentanone Solution in Acetonitrile, 100ug/mL, 2-Pentanone Solution in Acetonitrile, 1000ug/mL, Q209460, Methyl propyl ketone [UN1249]  [Flammable liquid], F0001-0145, InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H, 2-Pentanone, ReagentPlus(R), >=99%, purified by redistillation
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: 2
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: Characteristic acetone-like odor
boiling_point: 212 to 214 °F at 760 mmHg (NTP, 1992)
melting_point: -108 °F (NTP, 1992)
density: 0.809 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 10 to 50 mg/mL at 72 °F (NTP, 1992)
flash_point: 45 °F (NTP, 1992)
vapor_pressure: 12 mmHg at 68 °F ; 16 mmHg at 77 °F; 21 mmHg at 86 °F (NTP, 1992)
Descriptions:
pubchem: Pentan-2-one is a pentanone carrying an oxo substituent at position 2. It has a role as a plant metabolite. It is a pentanone and a methyl ketone.
chebi: A pentanone carrying an oxo substituent at position 2.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Pentanone or methyl propyl ketone (MPK) is a ketone and solvent of minor importance. It is comparable to methyl ethyl ketone, but has a lower solvency and is more expensive. It occurs naturally in Nicotiana tabacum (Tobacco) and blue cheese as a metabolic product of Penicillium mold growth.