5-Methyl-2-hexanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    110-12-3

    Molecular formula
    C7H14O

    SMILES
    CC(C)CCC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1098.0

  • Odor profile

    Fruity 88.55%
    Ketonic 77.95%
    Herbal 70.37%
    Cheesy 58.25%
    Sweet 56.93%
    Mint 52.08%
    Ethereal 43.3%
    Pungent 36.28%
    Spicy 36.17%
    Dairy 35.7%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.01 [mmHg]. Odor Threshold High: 0.04 [mmHg]. Detection odor threshold from AIHA (mean = 0.013 ppm)
    • 0.012 ppm= detection in air, 0.049 ppm= recognition in air; (purity not specified)

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.12 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

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

    Boiling point

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

    Flash point est.
    34.46 ˚C

    Flash point expt.

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

    Solubility expt.

    • 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]

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 421.44
    methanol 459.37
    isopropanol 484.61
    water 4.85
    ethyl acetate 185.67
    n-propanol 405.26
    acetone 299.51
    n-butanol 369.69
    acetonitrile 181.8
    DMF 396.06
    toluene 102.44
    isobutanol 336.79
    1,4-dioxane 302.17
    methyl acetate 239.32
    THF 449.58
    2-butanone 300.63
    n-pentanol 217.99
    sec-butanol 442.32
    n-hexane 100.68
    ethylene glycol 173.74
    NMP 314.93
    cyclohexane 63.19
    DMSO 250.28
    n-butyl acetate 195.22
    n-octanol 232.7
    chloroform 650.47
    n-propyl acetate 106.94
    acetic acid 233.98
    dichloromethane 358.46
    cyclohexanone 321.68
    propylene glycol 382.39
    isopropyl acetate 136.6
    DMAc 384.32
    2-ethoxyethanol 247.6
    isopentanol 307.95
    n-heptane 65.19
    ethyl formate 125.3
    1,2-dichloroethane 192.05
    n-hexanol 444.11
    2-methoxyethanol 455.82
    isobutyl acetate 99.7
    tetrachloromethane 135.2
    n-pentyl acetate 132.49
    transcutol 589.85
    n-heptanol 205.29
    ethylbenzene 95.82
    MIBK 157.85
    2-propoxyethanol 494.01
    tert-butanol 534.7
    MTBE 295.92
    2-butoxyethanol 279.34
    propionic acid 296.36
    o-xylene 97.74
    formic acid 83.9
    diethyl ether 186.97
    m-xylene 101.65
    p-xylene 122.37
    chlorobenzene 141.03
    dimethyl carbonate 61.97
    n-octane 31.64
    formamide 71.34
    cyclopentanone 381.09
    2-pentanone 207.75
    anisole 169.11
    cyclopentyl methyl ether 228.79
    gamma-butyrolactone 320.55
    1-methoxy-2-propanol 467.79
    pyridine 224.38
    3-pentanone 161.22
    furfural 331.04
    n-dodecane 28.01
    diethylene glycol 351.85
    diisopropyl ether 79.84
    tert-amyl alcohol 455.67
    acetylacetone 202.35
    n-hexadecane 29.91
    acetophenone 153.92
    methyl propionate 168.52
    isopentyl acetate 209.77
    trichloroethylene 409.25
    n-nonanol 185.59
    cyclohexanol 290.33
    benzyl alcohol 163.79
    2-ethylhexanol 233.33
    isooctanol 160.14
    dipropyl ether 157.08
    1,2-dichlorobenzene 146.6
    ethyl lactate 119.77
    propylene carbonate 203.71
    n-methylformamide 174.19
    2-pentanol 280.31
    n-pentane 64.91
    1-propoxy-2-propanol 397.41
    1-methoxy-2-propyl acetate 230.36
    2-(2-methoxypropoxy) propanol 272.69
    mesitylene 72.2
    ε-caprolactone 267.38
    p-cymene 92.45
    epichlorohydrin 304.61
    1,1,1-trichloroethane 300.83
    2-aminoethanol 326.9
    morpholine-4-carbaldehyde 358.03
    sulfolane 356.3
    2,2,4-trimethylpentane 44.22
    2-methyltetrahydrofuran 368.15
    n-hexyl acetate 253.68
    isooctane 35.81
    2-(2-butoxyethoxy)ethanol 321.21
    sec-butyl acetate 98.88
    tert-butyl acetate 174.7
    decalin 50.34
    glycerin 363.26
    diglyme 424.85
    acrylic acid 238.2
    isopropyl myristate 113.79
    n-butyric acid 324.04
    acetyl acetate 115.93
    di(2-ethylhexyl) phthalate 119.51
    ethyl propionate 109.13
    nitromethane 225.16
    1,2-diethoxyethane 182.59
    benzonitrile 181.62
    trioctyl phosphate 93.86
    1-bromopropane 200.36
    gamma-valerolactone 426.94
    n-decanol 142.51
    triethyl phosphate 85.61
    4-methyl-2-pentanol 173.8
    propionitrile 229.21
    vinylene carbonate 187.2
    1,1,2-trichlorotrifluoroethane 347.6
    DMS 161.41
    cumene 88.26
    2-octanol 158.77
    2-hexanone 159.84
    octyl acetate 142.71
    limonene 138.42
    1,2-dimethoxyethane 308.6
    ethyl orthosilicate 84.56
    tributyl phosphate 100.75
    diacetone alcohol 279.69
    N,N-dimethylaniline 137.66
    acrylonitrile 243.17
    aniline 162.23
    1,3-propanediol 344.16
    bromobenzene 135.71
    dibromomethane 293.27
    1,1,2,2-tetrachloroethane 421.04
    2-methyl-cyclohexyl acetate 157.67
    tetrabutyl urea 127.79
    diisobutyl methanol 141.14
    2-phenylethanol 219.98
    styrene 101.64
    dioctyl adipate 146.38
    dimethyl sulfate 110.21
    ethyl butyrate 130.35
    methyl lactate 179.99
    butyl lactate 163.08
    diethyl carbonate 92.56
    propanediol butyl ether 344.47
    triethyl orthoformate 109.71
    p-tert-butyltoluene 98.18
    methyl 4-tert-butylbenzoate 198.3
    morpholine 367.19
    tert-butylamine 340.71
    n-dodecanol 113.11
    dimethoxymethane 186.64
    ethylene carbonate 142.66
    cyrene 192.97
    2-ethoxyethyl acetate 163.99
    2-ethylhexyl acetate 159.48
    1,2,4-trichlorobenzene 189.47
    4-methylpyridine 249.7
    dibutyl ether 152.19
    2,6-dimethyl-4-heptanol 141.14
    DEF 194.96
    dimethyl isosorbide 312.31
    tetrachloroethylene 257.2
    eugenol 209.91
    triacetin 223.82
    span 80 293.54
    1,4-butanediol 158.19
    1,1-dichloroethane 323.95
    2-methyl-1-pentanol 202.86
    methyl formate 119.16
    2-methyl-1-butanol 299.12
    n-decane 44.04
    butyronitrile 222.45
    3,7-dimethyl-1-octanol 223.88
    1-chlorooctane 124.4
    1-chlorotetradecane 56.38
    n-nonane 45.16
    undecane 33.98
    tert-butylcyclohexane 64.1
    cyclooctane 28.62
    cyclopentanol 336.67
    tetrahydropyran 303.74
    tert-amyl methyl ether 232.28
    2,5,8-trioxanonane 313.79
    1-hexene 202.92
    2-isopropoxyethanol 216.39
    2,2,2-trifluoroethanol 97.52
    methyl butyrate 141.95

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

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%