4-Hydroxy-2-Butanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    590-90-9

    Molecular formula
    C4H8O2

    SMILES
    CC(=O)CCO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 73.32%
    Caramellic 52.82%
    Ethereal 51.11%
    Pungent 47.28%
    Alcoholic 40.48%
    Fruity 40.34%
    Fermented 36.81%
    Buttery 36.13%
    Sharp 34.81%
    Solvent 34.37%

     

    Flavor
    Sweet 57.83%
    Ethereal 51.77%
    Pungent 43.14%
    Bitter 38.92%
    Fruity 37.48%
    Musty 34.7%
    Alcoholic 33.29%
    Ether 31.74%
    Fruit 31.71%
    Alcohol 28.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.39 (weak base)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point

    • 78.47 ˚C est.

  • Synonyms

    • 4-Hydroxy-2-butanone
    • 4-Hydroxybutan-2-one
    • 590-90-9
    • 2-Butanone, 4-hydroxy-
    • Methylolacetone
    • 3-Oxo-1-butanol
    • 3-Oxobutanol
    • 3-Ketobutan-1-ol
    • Monomethylolacetone
    • 4-Butanol-2-one
    • UNII-TCM0BJ44MF
    • CH3C(O)CH2CH2OH
    • 4H2B compound
    • 2-Hydroxyethyl methyl ketone
    • NSC 41219
    • EINECS 209-693-6
    • MFCD00059005
    • NSC-41219
    • TCM0BJ44MF
    • AI3-11747
    • DTXSID4060442
    • CHEBI:41268
    • EC 209-693-6
    • 4-Hydroxy-2-?butanone
    • 4-hydroxy-butan-2-one
    • 3Oxobutanol
    • 3-ketobutanol
    • 3Ketobutan1ol
    • 3Oxo1butanol
    • 4Butanol2one
    • 4Hydroxybutan2one
    • 4-hydroxy butanone
    • 2Butanone, 4hydroxy
    • 1-hydroxy-3-butanone
    • 4-oxidanylbutan-2-one
    • 1d7j
    • 1 -hydroxy-3-butanone
    • ghl.PD_Mitscher_leg0.412
    • methyl beta-hydroxyethyl ketone
    • 4-Hydroxy-2-butanone, 95%
    • DTXCID2042519
    • NSC41219
    • BBL028076
    • STL372661
    • AKOS009156643
    • DB04094
    • HY-W051287
    • SB83766
    • BUQ
    • FH153648
    • PD006484
    • SY002849
    • CS-0044370
    • H0584
    • NS00004522
    • EN300-84982
    • A832151
    • Q27094939
    • Z906206900

  • Applications

    4-Hydroxy-2-butanone (CAS 590-90-9) is a versatile intermediate in organic synthesis, commonly used as a building block for pharmaceutical and agrochemical development; it also serves as a precursor for fragrance and flavor intermediates and for specialty monomers used in polymers and coatings; in cosmetics and personal care, it functions as a reactive intermediate enabling formulation of fragrance components and functional additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1030.23
    methanol 1680.33
    isopropanol 740.35
    water 1201.23
    ethyl acetate 150.33
    n-propanol 638.47
    acetone 575.03
    n-butanol 436.22
    acetonitrile 411.35
    DMF 1276.89
    toluene 13.99
    isobutanol 377.97
    1,4-dioxane 450.72
    methyl acetate 234.3
    THF 572.3
    2-butanone 237.06
    n-pentanol 230.2
    sec-butanol 414.49
    n-hexane 14.87
    ethylene glycol 1020.32
    NMP 752.05
    cyclohexane 14.09
    DMSO 631.35
    n-butyl acetate 55.33
    n-octanol 103.6
    chloroform 146.51
    n-propyl acetate 72.43
    acetic acid 1686.27
    dichloromethane 124.46
    cyclohexanone 231.99
    propylene glycol 858.58
    isopropyl acetate 69.91
    DMAc 737.05
    2-ethoxyethanol 463.85
    isopentanol 235.1
    n-heptane 12.14
    ethyl formate 168.82
    1,2-dichloroethane 80.79
    n-hexanol 171.48
    2-methoxyethanol 946.69
    isobutyl acetate 43.78
    tetrachloromethane 37.36
    n-pentyl acetate 52.83
    transcutol 734.57
    n-heptanol 80.22
    ethylbenzene 9.05
    MIBK 77.89
    2-propoxyethanol 343.56
    tert-butanol 627.07
    MTBE 147.84
    2-butoxyethanol 173.3
    propionic acid 626.14
    o-xylene 19.3
    formic acid 1404.84
    diethyl ether 147.5
    m-xylene 17.62
    p-xylene 15.32
    chlorobenzene 25.02
    dimethyl carbonate 73.33
    n-octane 4.54
    formamide 1000.04
    cyclopentanone 347.3
    2-pentanone 163.15
    anisole 61.33
    cyclopentyl methyl ether 157.17
    gamma-butyrolactone 418.05
    1-methoxy-2-propanol 548.9
    pyridine 114.27
    3-pentanone 113.32
    furfural 309.98
    n-dodecane 4.57
    diethylene glycol 507.4
    diisopropyl ether 30.61
    tert-amyl alcohol 350.72
    acetylacetone 150.66
    n-hexadecane 4.77
    acetophenone 61.33
    methyl propionate 166.71
    isopentyl acetate 42.23
    trichloroethylene 123.96
    n-nonanol 84.48
    cyclohexanol 252.31
    benzyl alcohol 88.03
    2-ethylhexanol 62.26
    isooctanol 57.13
    dipropyl ether 59.13
    1,2-dichlorobenzene 28.43
    ethyl lactate 81.66
    propylene carbonate 155.87
    n-methylformamide 738.11
    2-pentanol 219.02
    n-pentane 17.91
    1-propoxy-2-propanol 195.23
    1-methoxy-2-propyl acetate 81.54
    2-(2-methoxypropoxy) propanol 169.88
    mesitylene 14.04
    ε-caprolactone 206.93
    p-cymene 13.71
    epichlorohydrin 258.28
    1,1,1-trichloroethane 69.38
    2-aminoethanol 1055.5
    morpholine-4-carbaldehyde 623.02
    sulfolane 405.9
    2,2,4-trimethylpentane 9.3
    2-methyltetrahydrofuran 289.77
    n-hexyl acetate 90.9
    isooctane 6.15
    2-(2-butoxyethoxy)ethanol 247.73
    sec-butyl acetate 40.65
    tert-butyl acetate 69.46
    decalin 6.49
    glycerin 1073.89
    diglyme 340.32
    acrylic acid 593.9
    isopropyl myristate 37.07
    n-butyric acid 402.35
    acetyl acetate 93.33
    di(2-ethylhexyl) phthalate 48.6
    ethyl propionate 66.3
    nitromethane 1097.97
    1,2-diethoxyethane 108.37
    benzonitrile 71.16
    trioctyl phosphate 36.88
    1-bromopropane 43.35
    gamma-valerolactone 472.56
    n-decanol 59.05
    triethyl phosphate 32.3
    4-methyl-2-pentanol 90.73
    propionitrile 217.93
    vinylene carbonate 137.97
    1,1,2-trichlorotrifluoroethane 331.62
    DMS 72.66
    cumene 11.59
    2-octanol 52.12
    2-hexanone 92.31
    octyl acetate 55.13
    limonene 24.94
    1,2-dimethoxyethane 397.78
    ethyl orthosilicate 31.75
    tributyl phosphate 42.7
    diacetone alcohol 174.02
    N,N-dimethylaniline 51.41
    acrylonitrile 254.56
    aniline 83.35
    1,3-propanediol 821.88
    bromobenzene 13.27
    dibromomethane 67.02
    1,1,2,2-tetrachloroethane 116.3
    2-methyl-cyclohexyl acetate 45.17
    tetrabutyl urea 61.11
    diisobutyl methanol 32.24
    2-phenylethanol 70.62
    styrene 11.14
    dioctyl adipate 63.03
    dimethyl sulfate 121.13
    ethyl butyrate 47.69
    methyl lactate 192.92
    butyl lactate 71.09
    diethyl carbonate 32.94
    propanediol butyl ether 226.06
    triethyl orthoformate 40.18
    p-tert-butyltoluene 14.36
    methyl 4-tert-butylbenzoate 83.49
    morpholine 576.93
    tert-butylamine 281.11
    n-dodecanol 42.9
    dimethoxymethane 306.84
    ethylene carbonate 118.22
    cyrene 164.75
    2-ethoxyethyl acetate 81.1
    2-ethylhexyl acetate 31.6
    1,2,4-trichlorobenzene 42.31
    4-methylpyridine 97.29
    dibutyl ether 52.49
    2,6-dimethyl-4-heptanol 32.24
    DEF 252.34
    dimethyl isosorbide 186.12
    tetrachloroethylene 92.82
    eugenol 103.29
    triacetin 114.86
    span 80 164.25
    1,4-butanediol 366.06
    1,1-dichloroethane 85.38
    2-methyl-1-pentanol 139.93
    methyl formate 392.34
    2-methyl-1-butanol 241.07
    n-decane 7.77
    butyronitrile 173.01
    3,7-dimethyl-1-octanol 78.31
    1-chlorooctane 28.46
    1-chlorotetradecane 11.46
    n-nonane 7.5
    undecane 5.68
    tert-butylcyclohexane 8.21
    cyclooctane 4.17
    cyclopentanol 401.07
    tetrahydropyran 248.68
    tert-amyl methyl ether 103.47
    2,5,8-trioxanonane 265.67
    1-hexene 36.56
    2-isopropoxyethanol 239.88
    2,2,2-trifluoroethanol 599.4
    methyl butyrate 94.76

    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