2,2-Dimethyl-3-pentanone

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  • Identifiers

    CAS number
    564-04-5

    Molecular formula
    C7H14O

    SMILES
    CCC(=O)C(C)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 67.63%
    Herbal 54.47%
    Ethereal 45.65%
    Ketonic 45.33%
    Camphoreous 43.69%
    Mint 42.27%
    Cheesy 35.54%
    Fresh 35.01%
    Pungent 32.98%
    Fermented 28.04%

     

    Flavor
    Green 52.37%
    Fruity 40.17%
    Pungent 34.43%
    Herbal 31.56%
    Camphor 28.25%
    Earthy 27.0%
    Tropical 24.13%
    Citrus 23.8%
    Ethereal 23.7%
    Oily 23.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.1 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    126°C

    Flash point

    • 20.62 ˚C est.

  • Synonyms

    • 2,2-Dimethyl-3-pentanone
    • 2,2-Dimethylpentan-3-one
    • 564-04-5
    • Ethyl tert-butyl ketone
    • 3-Pentanone, 2,2-dimethyl-
    • tert-Butyl ethyl ketone
    • MFCD00039918
    • 4,4-dimethyl-3-pentanone
    • B3VJP6F44A
    • DTXSID10204971
    • NSC 244941
    • NSC-244941
    • Tert-butylethylketone
    • t-Butyl ethyl ketone
    • 1-tert-Butylpropanone
    • 3-Pentanone,2-dimethyl-
    • UNII-B3VJP6F44A
    • 2,2 dimethyl pentan-3-one
    • 2,2-dimethyl-pentan-3-one
    • SCHEMBL121296
    • DTXCID40127462
    • AAA56404
    • NSC244941
    • AKOS009157353
    • AB92714
    • SY036048
    • WS-02128
    • EN300-69443
    • 2,2-Dimethyl-3-oxopentane, Ethyl tert-butyl ketone
    • A1-00485
    • 633-483-7

  • Applications

    2,2-Dimethyl-3-pentanone (CAS number: 564-04-5) is used as a specialty solvent in coatings, inks, and adhesives, aiding resin dissolution and uniform film formation. It also serves as an intermediate in organic synthesis, enabling the preparation of more complex chemicals. In polymer and plastics processing, it acts as a solvent or processing aid for resin formulations. In industrial cleaning formulations, it functions as a high-volatility solvent to remove residues and contaminants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1292.67
    methanol 1768.92
    isopropanol 1122.05
    water 19.41
    ethyl acetate 1080.98
    n-propanol 1120.93
    acetone 881.79
    n-butanol 1157.54
    acetonitrile 1067.84
    DMF 865.8
    toluene 566.63
    isobutanol 954.2
    1,4-dioxane 1316.45
    methyl acetate 932.36
    THF 1516.21
    2-butanone 969.75
    n-pentanol 754.96
    sec-butanol 1147.01
    n-hexane 665.72
    ethylene glycol 278.41
    NMP 1050.57
    cyclohexane 540.92
    DMSO 497.41
    n-butyl acetate 1122.95
    n-octanol 805.79
    chloroform 3377.78
    n-propyl acetate 718.17
    acetic acid 1150.99
    dichloromethane 2342.36
    cyclohexanone 1364.45
    propylene glycol 355.92
    isopropyl acetate 790.13
    DMAc 877.3
    2-ethoxyethanol 797.44
    isopentanol 1064.45
    n-heptane 482.86
    ethyl formate 740.65
    1,2-dichloroethane 1120.92
    n-hexanol 1224.99
    2-methoxyethanol 1157.93
    isobutyl acetate 519.44
    tetrachloromethane 1295.68
    n-pentyl acetate 836.68
    transcutol 1871.38
    n-heptanol 754.02
    ethylbenzene 475.04
    MIBK 619.27
    2-propoxyethanol 1186.21
    tert-butanol 1403.21
    MTBE 1333.6
    2-butoxyethanol 893.78
    propionic acid 947.02
    o-xylene 514.83
    formic acid 518.77
    diethyl ether 1172.01
    m-xylene 479.42
    p-xylene 736.45
    chlorobenzene 798.6
    dimethyl carbonate 276.05
    n-octane 210.8
    formamide 489.86
    cyclopentanone 1257.28
    2-pentanone 860.75
    anisole 679.24
    cyclopentyl methyl ether 1003.26
    gamma-butyrolactone 1365.7
    1-methoxy-2-propanol 869.0
    pyridine 955.28
    3-pentanone 695.56
    furfural 1205.48
    n-dodecane 118.86
    diethylene glycol 679.73
    diisopropyl ether 591.68
    tert-amyl alcohol 1420.05
    acetylacetone 757.75
    n-hexadecane 128.72
    acetophenone 630.9
    methyl propionate 685.85
    isopentyl acetate 1051.19
    trichloroethylene 2115.68
    n-nonanol 670.95
    cyclohexanol 1068.84
    benzyl alcohol 524.57
    2-ethylhexanol 929.12
    isooctanol 626.42
    dipropyl ether 910.39
    1,2-dichlorobenzene 860.76
    ethyl lactate 337.84
    propylene carbonate 979.99
    n-methylformamide 653.07
    2-pentanol 970.68
    n-pentane 477.12
    1-propoxy-2-propanol 993.89
    1-methoxy-2-propyl acetate 749.56
    2-(2-methoxypropoxy) propanol 623.93
    mesitylene 380.87
    ε-caprolactone 1321.9
    p-cymene 520.29
    epichlorohydrin 1305.02
    1,1,1-trichloroethane 1902.04
    2-aminoethanol 572.43
    morpholine-4-carbaldehyde 1113.09
    sulfolane 1185.47
    2,2,4-trimethylpentane 284.57
    2-methyltetrahydrofuran 1525.0
    n-hexyl acetate 1206.07
    isooctane 205.07
    2-(2-butoxyethoxy)ethanol 857.84
    sec-butyl acetate 616.7
    tert-butyl acetate 862.93
    decalin 325.56
    glycerin 413.16
    diglyme 1381.8
    acrylic acid 730.21
    isopropyl myristate 419.4
    n-butyric acid 1354.78
    acetyl acetate 699.33
    di(2-ethylhexyl) phthalate 344.79
    ethyl propionate 644.43
    nitromethane 1149.11
    1,2-diethoxyethane 979.83
    benzonitrile 829.49
    trioctyl phosphate 283.39
    1-bromopropane 1061.92
    gamma-valerolactone 1423.82
    n-decanol 454.68
    triethyl phosphate 370.33
    4-methyl-2-pentanol 589.91
    propionitrile 939.75
    vinylene carbonate 863.66
    1,1,2-trichlorotrifluoroethane 1089.53
    DMS 556.01
    cumene 422.93
    2-octanol 627.19
    2-hexanone 752.77
    octyl acetate 526.29
    limonene 718.5
    1,2-dimethoxyethane 1213.69
    ethyl orthosilicate 417.58
    tributyl phosphate 358.95
    diacetone alcohol 737.53
    N,N-dimethylaniline 530.1
    acrylonitrile 903.78
    aniline 616.58
    1,3-propanediol 779.82
    bromobenzene 829.77
    dibromomethane 1742.69
    1,1,2,2-tetrachloroethane 1937.03
    2-methyl-cyclohexyl acetate 671.71
    tetrabutyl urea 383.51
    diisobutyl methanol 515.6
    2-phenylethanol 666.84
    styrene 509.55
    dioctyl adipate 488.8
    dimethyl sulfate 385.23
    ethyl butyrate 814.03
    methyl lactate 340.43
    butyl lactate 577.64
    diethyl carbonate 532.96
    propanediol butyl ether 710.96
    triethyl orthoformate 603.41
    p-tert-butyltoluene 499.88
    methyl 4-tert-butylbenzoate 647.28
    morpholine 1360.98
    tert-butylamine 1168.78
    n-dodecanol 329.19
    dimethoxymethane 632.87
    ethylene carbonate 735.11
    cyrene 445.53
    2-ethoxyethyl acetate 773.15
    2-ethylhexyl acetate 923.11
    1,2,4-trichlorobenzene 909.02
    4-methylpyridine 1143.88
    dibutyl ether 873.51
    2,6-dimethyl-4-heptanol 515.6
    DEF 908.49
    dimethyl isosorbide 929.12
    tetrachloroethylene 1634.49
    eugenol 575.59
    triacetin 665.69
    span 80 635.61
    1,4-butanediol 370.29
    1,1-dichloroethane 1595.24
    2-methyl-1-pentanol 768.44
    methyl formate 518.3
    2-methyl-1-butanol 1061.38
    n-decane 228.28
    butyronitrile 1122.56
    3,7-dimethyl-1-octanol 747.04
    1-chlorooctane 569.28
    1-chlorotetradecane 221.12
    n-nonane 255.65
    undecane 155.03
    tert-butylcyclohexane 372.7
    cyclooctane 249.61
    cyclopentanol 979.51
    tetrahydropyran 1330.4
    tert-amyl methyl ether 1103.48
    2,5,8-trioxanonane 825.35
    1-hexene 999.62
    2-isopropoxyethanol 651.74
    2,2,2-trifluoroethanol 516.8
    methyl butyrate 840.49

    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