• Identifiers

    CAS mumber
    110-12-3

    Molecular formula
    C7H14O

    SMILES
    CC(C)CCC(=O)C

    Retention indicies (RI)

    • Carbowax: 1098.0
  • Properties

    XLogP3-AA
    1.9 Well soluble in DEP, MMB, TEC

    Molecular weight
    114.19 g/mol

    Melting points

    • -101 °F (NIOSH, 2024)
    • Freezing pt: -73.9 °C
    • -74 °C
    • -74 °C
    • -101 °F
    • -101 °F

    Boiling points

    • 291 °F at 760 mmHg (NIOSH, 2024)
    • 144 °C
    • 144 °C
    • 291 °F
    • 291 °F

    Flash points

    • 97 °F (NIOSH, 2024)
    • 36 °C
    • 96 °F (36 °C) (Closed cup)
    • 110 °F (open cup)
    • 36 °C c.c.
    • 97 °F
    • 97 °F

    Solubilities

    • 0.5 % (NIOSH, 2024)
    • In water, 5400 mg/L at 25 °C
    • Miscible with ethanol and ether; very soluble in acetone, benzene; soluble in carbon tetrachloride
    • Miscible with most org solvents
    • 5.4 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.5 (poor)
    • 0.5%

  • Synonyms

    • 5-METHYL-2-HEXANONE
    • 110-12-3
    • 5-Methylhexan-2-one
    • 2-Hexanone, 5-methyl-
    • Isopentyl methyl ketone
    • Isoamyl methyl ketone
    • Methyl isoamyl ketone
    • MIAK
    • Isobutylacetone
    • 2-Methyl-5-hexanone
    • Ketone, methyl isoamyl
    • Methyl isopentyl ketone
    • (CH3)2CHCH2CH2COCH3
    • HSDB 2885
    • EINECS 203-737-8
    • UN2302
    • UNII-6O4A4A5F28
    • BRN 0506163
    • 2-hexanone-5-methyl
    • DTXSID5021914
    • methyl iso-amyl ketone
    • 3-Methylbutyl methyl ketone
    • DTXCID801914
    • CHEBI:88432
    • METHYL-2-HEXANONE, 5-
    • EC 203-737-8
    • 6O4A4A5F28
    • 4-01-00-03329 (Beilstein Handbook Reference)
    • 5-METHYL-2-HEXANONE [HSDB]
    • MFCD00008950
    • UN 2302
    • 5-Methyl-2-hexanone, 99%
    • CAS-110-12-3
    • 5-Methyl-hexan-2-one
    • methylhexanone
    • 2Methyl5hexanone
    • 5Methyl2hexanone
    • 5Methylhexan2one
    • methylisoamyl ketone
    • 2Hexanone, 5methyl
    • methyl isopentyl keton
    • SCHEMBL35996
    • CHEMBL45354
    • 5-Methylhexan-2-one [UN2302] [Flammable liquid]
    • Tox21_201346
    • Tox21_302906
    • LMFA12000037
    • Methyl isoamyl ketone (ACGIH:OSHA)
    • AKOS000119819
    • NCGC00249030-01
    • NCGC00256572-01
    • NCGC00258898-01
    • DB-040899
    • I0087
    • NS00010079
    • EN300-19620
    • Q2152381
    • 5-Methylhexan-2-one [UN2302] [Flammable liquid]
1 of 3
Name CAS Botanical Proportion
Patchouli (China) 1 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%