3-Hydroxy-3-methyl-2-butanone

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  • Identifiers

    CAS number
    115-22-0

    Molecular formula
    C5H10O2

    SMILES
    CC(=O)C(C)(C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 47.0%
    Buttery 44.63%
    Creamy 40.36%
    Ketonic 40.04%
    Fruity 38.43%
    Ethereal 38.15%
    Nutty 37.72%
    Caramellic 36.13%
    Earthy 32.09%
    Camphoreous 32.06%

     

    Flavor
    Sweet 65.66%
    Fruity 52.6%
    Pungent 41.59%
    Creamy 35.39%
    Ethereal 33.44%
    Herbal 31.98%
    Buttery 31.48%
    Oily 30.13%
    Ether 28.66%
    Butter 27.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    9.45 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    142°C

    Flash point

    • 48.5 ˚C est.

  • Synonyms

    • 3-HYDROXY-3-METHYL-2-BUTANONE
    • 115-22-0
    • 3-hydroxy-3-methylbutan-2-one
    • 2-Butanone, 3-hydroxy-3-methyl-
    • 3-Methylacetoin
    • Methylacetoin
    • Dimethylacetylcarbinol
    • 1-Hydroxy-1-methylethyl methyl ketone
    • 2-Hydroxy-2-methyl-3-butanone
    • 2-Methyl-2-hydroxybutan-3-one
    • 3-hydroxy-3-methyl-butan-2-one
    • MFCD00004460
    • Acetyldimethylcarbinol
    • NSC-5576
    • 3-Hydroxy-3-ethylbutanone
    • 3-methyl-3-hydroxy-2-butanone
    • NSC5576
    • NSC 5576
    • EINECS 204-073-1
    • AI3-23404
    • YYL6RC5VC2
    • 3-Hydroxy-3-methylbutanone
    • SCHEMBL124447
    • 2-Methyl-2-hydroxy-3-butanone
    • SCHEMBL11328964
    • SCHEMBL17241718
    • 2-methyl-2-hydroxy-butan-3-one
    • DTXSID60870468
    • CHEBI:179407
    • LMFA12000066
    • AKOS009157070
    • CS-W016644
    • H0471
    • EN300-60323
    • D88126
    • F092081
    • 3-Hydroxy-3-methyl-2-butanone, 95% anhydrous basis
    • Z939661728
    • InChI=1/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H
    • 115-22-0

  • Applications

    3-Hydroxy-3-methyl-2-butanone (CAS 115-22-0) is used primarily as a chemical intermediate in fragrance and flavor chemistry, acting as a precursor to aroma compounds and, in some cases, as an odorant in perfumery; in cosmetics and personal care, it may function as a fragrance intermediate within formulations; in the pharmaceutical sector, it is commonly evaluated as a synthetic building block for chiral intermediates; in industrial manufacturing, it can serve as a feedstock or building block for specialty polymers and resins used in coatings and inks. Its exact role depends on formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1009.44
    methanol 1612.62
    isopropanol 848.69
    water 691.62
    ethyl acetate 220.95
    n-propanol 650.83
    acetone 443.16
    n-butanol 513.53
    acetonitrile 433.92
    DMF 816.86
    toluene 48.09
    isobutanol 475.07
    1,4-dioxane 447.14
    methyl acetate 314.31
    THF 502.99
    2-butanone 312.06
    n-pentanol 286.87
    sec-butanol 622.34
    n-hexane 40.22
    ethylene glycol 499.87
    NMP 501.93
    cyclohexane 26.25
    DMSO 430.77
    n-butyl acetate 64.6
    n-octanol 152.01
    chloroform 410.62
    n-propyl acetate 88.2
    acetic acid 835.19
    dichloromethane 322.86
    cyclohexanone 236.63
    propylene glycol 627.04
    isopropyl acetate 134.06
    DMAc 723.39
    2-ethoxyethanol 486.11
    isopentanol 372.78
    n-heptane 22.98
    ethyl formate 254.28
    1,2-dichloroethane 159.29
    n-hexanol 205.57
    2-methoxyethanol 944.33
    isobutyl acetate 54.39
    tetrachloromethane 138.75
    n-pentyl acetate 79.55
    transcutol 538.81
    n-heptanol 149.06
    ethylbenzene 38.76
    MIBK 126.72
    2-propoxyethanol 323.09
    tert-butanol 849.29
    MTBE 333.69
    2-butoxyethanol 259.76
    propionic acid 522.41
    o-xylene 57.29
    formic acid 980.41
    diethyl ether 227.16
    m-xylene 47.51
    p-xylene 62.35
    chlorobenzene 66.48
    dimethyl carbonate 103.95
    n-octane 12.67
    formamide 1113.01
    cyclopentanone 324.31
    2-pentanone 214.77
    anisole 117.14
    cyclopentyl methyl ether 178.77
    gamma-butyrolactone 374.5
    1-methoxy-2-propanol 599.3
    pyridine 202.13
    3-pentanone 146.12
    furfural 351.41
    n-dodecane 9.42
    diethylene glycol 366.33
    diisopropyl ether 68.27
    tert-amyl alcohol 669.39
    acetylacetone 196.54
    n-hexadecane 9.64
    acetophenone 103.8
    methyl propionate 203.29
    isopentyl acetate 68.17
    trichloroethylene 267.86
    n-nonanol 126.69
    cyclohexanol 261.3
    benzyl alcohol 137.29
    2-ethylhexanol 102.16
    isooctanol 115.74
    dipropyl ether 72.8
    1,2-dichlorobenzene 67.63
    ethyl lactate 94.82
    propylene carbonate 197.11
    n-methylformamide 672.86
    2-pentanol 348.03
    n-pentane 44.76
    1-propoxy-2-propanol 195.89
    1-methoxy-2-propyl acetate 95.05
    2-(2-methoxypropoxy) propanol 183.95
    mesitylene 34.0
    ε-caprolactone 228.6
    p-cymene 28.88
    epichlorohydrin 313.91
    1,1,1-trichloroethane 184.06
    2-aminoethanol 785.03
    morpholine-4-carbaldehyde 538.36
    sulfolane 333.85
    2,2,4-trimethylpentane 30.04
    2-methyltetrahydrofuran 341.07
    n-hexyl acetate 131.38
    isooctane 17.27
    2-(2-butoxyethoxy)ethanol 238.37
    sec-butyl acetate 68.47
    tert-butyl acetate 140.05
    decalin 18.21
    glycerin 685.73
    diglyme 393.76
    acrylic acid 448.65
    isopropyl myristate 46.03
    n-butyric acid 433.39
    acetyl acetate 131.88
    di(2-ethylhexyl) phthalate 54.98
    ethyl propionate 93.61
    nitromethane 824.05
    1,2-diethoxyethane 114.25
    benzonitrile 110.24
    trioctyl phosphate 42.68
    1-bromopropane 113.27
    gamma-valerolactone 464.05
    n-decanol 86.2
    triethyl phosphate 45.25
    4-methyl-2-pentanol 173.58
    propionitrile 249.87
    vinylene carbonate 178.95
    1,1,2-trichlorotrifluoroethane 408.26
    DMS 79.54
    cumene 39.49
    2-octanol 105.48
    2-hexanone 120.68
    octyl acetate 65.37
    limonene 43.41
    1,2-dimethoxyethane 466.26
    ethyl orthosilicate 47.06
    tributyl phosphate 43.65
    diacetone alcohol 271.73
    N,N-dimethylaniline 105.46
    acrylonitrile 294.83
    aniline 155.05
    1,3-propanediol 748.41
    bromobenzene 47.17
    dibromomethane 207.76
    1,1,2,2-tetrachloroethane 258.74
    2-methyl-cyclohexyl acetate 63.06
    tetrabutyl urea 59.46
    diisobutyl methanol 56.67
    2-phenylethanol 103.13
    styrene 39.9
    dioctyl adipate 64.2
    dimethyl sulfate 157.35
    ethyl butyrate 60.82
    methyl lactate 211.49
    butyl lactate 87.52
    diethyl carbonate 45.34
    propanediol butyl ether 255.23
    triethyl orthoformate 55.17
    p-tert-butyltoluene 30.63
    methyl 4-tert-butylbenzoate 122.51
    morpholine 588.72
    tert-butylamine 481.25
    n-dodecanol 59.1
    dimethoxymethane 346.02
    ethylene carbonate 144.77
    cyrene 169.94
    2-ethoxyethyl acetate 105.91
    2-ethylhexyl acetate 50.45
    1,2,4-trichlorobenzene 86.69
    4-methylpyridine 203.69
    dibutyl ether 76.17
    2,6-dimethyl-4-heptanol 56.67
    DEF 290.34
    dimethyl isosorbide 190.86
    tetrachloroethylene 223.46
    eugenol 131.91
    triacetin 117.67
    span 80 157.81
    1,4-butanediol 304.29
    1,1-dichloroethane 216.43
    2-methyl-1-pentanol 230.02
    methyl formate 422.27
    2-methyl-1-butanol 376.82
    n-decane 17.2
    butyronitrile 256.75
    3,7-dimethyl-1-octanol 118.76
    1-chlorooctane 52.59
    1-chlorotetradecane 19.5
    n-nonane 17.16
    undecane 12.09
    tert-butylcyclohexane 23.94
    cyclooctane 11.39
    cyclopentanol 364.77
    tetrahydropyran 279.53
    tert-amyl methyl ether 247.72
    2,5,8-trioxanonane 256.43
    1-hexene 86.95
    2-isopropoxyethanol 281.06
    2,2,2-trifluoroethanol 472.13
    methyl butyrate 135.09

    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