Methyl isopropyl ketone

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  • Identifiers

    CAS number
    563-80-4

    Molecular formula
    C5H10O

    SMILES
    CC(C)C(=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 933.5

  • Odor profile

    Ethereal 75.66%
    Ketonic 70.17%
    Fruity 55.67%
    Solvent 47.08%
    Camphoreous 46.12%
    Mint 42.58%
    Pungent 41.44%
    Fermented 36.93%
    Cheesy 32.42%
    Sharp 31.9%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 1.9 [mmHg]. Odor Threshold High: 4.8 [mmHg]. [ICSC] Odor threshold from CHEMINFO

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -134 °F (USCG, 1999)
    • -93.1 °C
    • -92 °C
    • -134 °F

    Boiling point

    • 201 °F at 760 mmHg (USCG, 1999)
    • 94.33 °C
    • 93-95 °C
    • 201 °F
    • 199 °F

    Flash point est.
    5.6 ˚C

    Flash point expt.

    • 43 °F (USCG, 1999)
    • -1 °C
    • 52 °F (11 °C)
    • -1 °C c.c.
    • 43 °F

    Solubility expt.

    • Very slight (NIOSH, 2024)
    • Miscible with ethanol, ethyl ether; very soluble in acetone; soluble in carbon tetrachloride
    • In water, 5.237X10+4 mg/L at 20 °C
    • Solubility in water, g/100ml at 20 °C: 0.6 (poor)
    • Very slight

  • Synonyms

    • 3-METHYL-2-BUTANONE
    • 563-80-4
    • 3-Methylbutan-2-one
    • Methyl isopropyl ketone
    • Isopropyl methyl ketone
    • 2-Acetylpropane
    • 2-Butanone, 3-methyl-
    • Methyl butanone-2
    • 3-Methylbutanone
    • Ketone, isopropyl methyl
    • MIPK
    • 2-Methyl-3-butanone
    • 2-Acetyl propane
    • Methylbutanone (VAN)
    • Caswell No. 555A
    • methylisopropylketone
    • NSC 9379
    • Methylbutanone
    • V8DP6THY5O
    • EINECS 209-264-3
    • UN2397
    • EPA Pesticide Chemical Code 044104
    • DTXSID0022062
    • 2-Methylbutan-3-one
    • AI3-24194
    • HSDB 7915
    • 3-methyl-butan-2-one
    • NSC-9379
    • DTXCID802062
    • METHYL-2-BUTANONE, 3-
    • EC 209-264-3
    • METHYL ISOPROPYL KETONE [MI]
    • MFCD00008919
    • 3-Methyl-2-butanone, 99%
    • CAS-563-80-4
    • methylisopropyl ketone
    • methyl-isopropyl ketone
    • 3-methyl butan-2-one
    • UNII-V8DP6THY5O
    • 3methylbutanone
    • methyl butanone
    • 2Acetylpropane
    • 2-isopentanone
    • 2Acetyl propane
    • 2Methyl3butanone
    • 3Methyl2butanone
    • 3Methylbutan2one
    • Methyl butanone2
    • isopropylmethylketone
    • 2Butanone, 3methyl
    • 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
    • CHEMBL3183920
    • WLN: 1Y1&V1
    • Methyl isopropyl ketone (ACGIH)
    • NSC9379
    • CHEBI:179699
    • 3-Methyl-2-butan-2-one (DOT)
    • BCP21603
    • Tox21_201720
    • Tox21_302856
    • LMFA12000024
    • AKOS000119454
    • 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
    • Isopropyl methyl ketone;Methyl isopropyl ketone
    • 3-Methyl-2-butanone, puriss., >=98.5% (GC)
    • A831026
    • 2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE
    • Q2747560
    • 2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE
    • 3-Methylbutan-2-one [UN2397] [Flammable liquid]
    • F1908-0070
    • 209-264-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1373.46
    methanol 1797.03
    isopropanol 1195.94
    water 62.41
    ethyl acetate 584.34
    n-propanol 1011.12
    acetone 851.31
    n-butanol 864.06
    acetonitrile 1206.31
    DMF 796.01
    toluene 187.81
    isobutanol 766.93
    1,4-dioxane 774.84
    methyl acetate 794.51
    THF 810.14
    2-butanone 719.07
    n-pentanol 569.34
    sec-butanol 1020.91
    n-hexane 154.13
    ethylene glycol 341.03
    NMP 665.99
    cyclohexane 84.89
    DMSO 472.57
    n-butyl acetate 269.35
    n-octanol 334.96
    chloroform 1855.53
    n-propyl acetate 289.56
    acetic acid 1266.41
    dichloromethane 1204.02
    cyclohexanone 546.61
    propylene glycol 536.25
    isopropyl acetate 324.9
    DMAc 785.85
    2-ethoxyethanol 604.61
    isopentanol 670.68
    n-heptane 74.79
    ethyl formate 438.12
    1,2-dichloroethane 530.74
    n-hexanol 502.26
    2-methoxyethanol 997.2
    isobutyl acetate 178.95
    tetrachloromethane 535.32
    n-pentyl acetate 292.23
    transcutol 1138.63
    n-heptanol 353.6
    ethylbenzene 153.6
    MIBK 256.05
    2-propoxyethanol 561.6
    tert-butanol 1193.66
    MTBE 648.56
    2-butoxyethanol 497.77
    propionic acid 949.12
    o-xylene 165.76
    formic acid 573.61
    diethyl ether 507.78
    m-xylene 132.44
    p-xylene 247.76
    chlorobenzene 317.0
    dimethyl carbonate 131.62
    n-octane 40.46
    formamide 706.84
    cyclopentanone 687.59
    2-pentanone 443.75
    anisole 294.63
    cyclopentyl methyl ether 364.6
    gamma-butyrolactone 775.17
    1-methoxy-2-propanol 721.19
    pyridine 677.4
    3-pentanone 324.68
    furfural 730.58
    n-dodecane 28.0
    diethylene glycol 408.6
    diisopropyl ether 151.19
    tert-amyl alcohol 1041.97
    acetylacetone 403.64
    n-hexadecane 29.47
    acetophenone 275.79
    methyl propionate 400.15
    isopentyl acetate 249.84
    trichloroethylene 1112.29
    n-nonanol 284.03
    cyclohexanol 513.77
    benzyl alcohol 321.47
    2-ethylhexanol 291.89
    isooctanol 273.7
    dipropyl ether 227.65
    1,2-dichlorobenzene 278.22
    ethyl lactate 181.54
    propylene carbonate 439.81
    n-methylformamide 719.35
    2-pentanol 607.26
    n-pentane 125.23
    1-propoxy-2-propanol 428.44
    1-methoxy-2-propyl acetate 230.82
    2-(2-methoxypropoxy) propanol 340.91
    mesitylene 85.7
    ε-caprolactone 557.52
    p-cymene 105.26
    epichlorohydrin 710.8
    1,1,1-trichloroethane 880.71
    2-aminoethanol 735.77
    morpholine-4-carbaldehyde 692.01
    sulfolane 559.51
    2,2,4-trimethylpentane 78.4
    2-methyltetrahydrofuran 777.23
    n-hexyl acetate 415.09
    isooctane 43.15
    2-(2-butoxyethoxy)ethanol 480.94
    sec-butyl acetate 209.64
    tert-butyl acetate 289.09
    decalin 62.29
    glycerin 485.92
    diglyme 707.56
    acrylic acid 747.83
    isopropyl myristate 134.53
    n-butyric acid 899.88
    acetyl acetate 323.22
    di(2-ethylhexyl) phthalate 139.64
    ethyl propionate 248.3
    nitromethane 1289.75
    1,2-diethoxyethane 356.91
    benzonitrile 403.05
    trioctyl phosphate 100.84
    1-bromopropane 457.53
    gamma-valerolactone 832.72
    n-decanol 193.41
    triethyl phosphate 108.68
    4-methyl-2-pentanol 308.93
    propionitrile 722.56
    vinylene carbonate 395.61
    1,1,2-trichlorotrifluoroethane 753.87
    DMS 221.34
    cumene 123.76
    2-octanol 272.43
    2-hexanone 349.57
    octyl acetate 188.35
    limonene 147.52
    1,2-dimethoxyethane 691.32
    ethyl orthosilicate 116.32
    tributyl phosphate 112.62
    diacetone alcohol 421.89
    N,N-dimethylaniline 210.92
    acrylonitrile 845.41
    aniline 375.98
    1,3-propanediol 804.92
    bromobenzene 270.02
    dibromomethane 803.47
    1,1,2,2-tetrachloroethane 953.81
    2-methyl-cyclohexyl acetate 186.8
    tetrabutyl urea 128.3
    diisobutyl methanol 143.89
    2-phenylethanol 290.07
    styrene 183.07
    dioctyl adipate 171.19
    dimethyl sulfate 190.37
    ethyl butyrate 224.28
    methyl lactate 249.69
    butyl lactate 238.51
    diethyl carbonate 151.09
    propanediol butyl ether 436.19
    triethyl orthoformate 165.14
    p-tert-butyltoluene 103.55
    methyl 4-tert-butylbenzoate 254.77
    morpholine 943.07
    tert-butylamine 795.13
    n-dodecanol 133.76
    dimethoxymethane 326.4
    ethylene carbonate 306.68
    cyrene 242.14
    2-ethoxyethyl acetate 327.29
    2-ethylhexyl acetate 191.78
    1,2,4-trichlorobenzene 357.56
    4-methylpyridine 637.66
    dibutyl ether 260.89
    2,6-dimethyl-4-heptanol 143.89
    DEF 466.85
    dimethyl isosorbide 342.83
    tetrachloroethylene 718.33
    eugenol 269.85
    triacetin 311.86
    span 80 354.23
    1,4-butanediol 352.82
    1,1-dichloroethane 928.5
    2-methyl-1-pentanol 509.62
    methyl formate 432.66
    2-methyl-1-butanol 704.6
    n-decane 52.39
    butyronitrile 673.02
    3,7-dimethyl-1-octanol 272.84
    1-chlorooctane 169.73
    1-chlorotetradecane 62.19
    n-nonane 53.52
    undecane 36.76
    tert-butylcyclohexane 81.68
    cyclooctane 30.87
    cyclopentanol 655.69
    tetrahydropyran 632.01
    tert-amyl methyl ether 442.8
    2,5,8-trioxanonane 427.08
    1-hexene 361.69
    2-isopropoxyethanol 462.7
    2,2,2-trifluoroethanol 501.25
    methyl butyrate 349.52

    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
Osmanthus headspace (flowers) (China) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. thunbergii Makino, fam. Oleaceae 0.1%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%