4-Hydroxypentan-2-one

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  • Identifiers

    CAS number
    4161-60-8

    Molecular formula
    C5H10O2

    SMILES
    CC(CC(=O)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 52.96%
    Sweet 47.61%
    Green 44.36%
    Ethereal 37.86%
    Pungent 37.51%
    Caramellic 35.68%
    Earthy 34.19%
    Buttery 33.85%
    Nutty 32.2%
    Fresh 31.86%

     

    Flavor
    Fruity 37.12%
    Ethereal 33.19%
    Sweet 31.66%
    Tropical 30.57%
    Bitter 29.79%
    Pungent 29.68%
    Musty 28.51%
    Herbal 27.49%
    Oily 27.05%
    Fruit 24.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    8.73 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    170°C

    Flash point

    • 69.44 ˚C est.

  • Synonyms

    • 4-Hydroxypentan-2-one
    • 4-HYDROXY-2-PENTANONE
    • EINECS 224-003-3
    • DTXSID70864393
    • NSC 263780
    • RefChem:524054
    • DTXCID30812916
    • 224-003-3
    • 4161-60-8
    • 2-Pentanone, 4-hydroxy-
    • CH3CH(OH)CH2C(O)CH3
    • (4R)-4-HYDROXYPENTAN-2-ONE
    • 63315-69-5
    • MFCD19300653
    • NSC263780
    • 4-Hydroxy-2-pentanone #
    • SCHEMBL153744
    • 2-PENTANONE-4-HYDROXY
    • SCHEMBL6866832
    • 4-Hydroxy-4-methyl-2-butanone
    • SCHEMBL13717323
    • AKOS014026559
    • NSC-263780
    • DS-015160
    • NS00048427
    • EN300-243210
    • F87631
    • 4161-60-8

  • Applications

    4-Hydroxypentan-2-one is primarily used as an intermediate in organic synthesis, serving as a building block for more complex compounds. In the fragrance and flavor sector, it is commonly evaluated as an intermediate for the preparation of scent precursors and aroma compounds. In cosmetics and personal care, it may play the role of a precursor to generate fragrance-related ingredients or functionalized derivatives. It also serves as an intermediate in pharmaceutical synthesis and related fine chemicals. In industrial manufacturing and polymer chemistry, the hydroxy-ketone functionality enables participation in reactions to form polymers, resins, or specialty additives, depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1790.15
    methanol 2878.51
    isopropanol 1289.5
    water 1029.03
    ethyl acetate 342.21
    n-propanol 1195.46
    acetone 896.28
    n-butanol 826.16
    acetonitrile 678.85
    DMF 1233.18
    toluene 46.63
    isobutanol 725.45
    1,4-dioxane 793.58
    methyl acetate 476.27
    THF 1070.13
    2-butanone 448.75
    n-pentanol 502.01
    sec-butanol 816.75
    n-hexane 61.64
    ethylene glycol 1350.69
    NMP 855.3
    cyclohexane 46.1
    DMSO 697.82
    n-butyl acetate 140.97
    n-octanol 257.62
    chloroform 294.53
    n-propyl acetate 163.98
    acetic acid 2396.67
    dichloromethane 243.73
    cyclohexanone 448.15
    propylene glycol 1245.01
    isopropyl acetate 168.81
    DMAc 877.73
    2-ethoxyethanol 791.08
    isopentanol 464.99
    n-heptane 40.3
    ethyl formate 336.37
    1,2-dichloroethane 157.4
    n-hexanol 502.02
    2-methoxyethanol 1557.23
    isobutyl acetate 104.66
    tetrachloromethane 69.73
    n-pentyl acetate 111.0
    transcutol 1179.74
    n-heptanol 178.34
    ethylbenzene 32.98
    MIBK 177.97
    2-propoxyethanol 773.06
    tert-butanol 1155.78
    MTBE 369.59
    2-butoxyethanol 325.35
    propionic acid 1039.0
    o-xylene 51.65
    formic acid 1835.44
    diethyl ether 404.57
    m-xylene 52.89
    p-xylene 47.84
    chlorobenzene 67.51
    dimethyl carbonate 141.51
    n-octane 14.51
    formamide 969.73
    cyclopentanone 533.18
    2-pentanone 339.5
    anisole 126.95
    cyclopentyl methyl ether 376.42
    gamma-butyrolactone 672.65
    1-methoxy-2-propanol 930.43
    pyridine 227.43
    3-pentanone 221.44
    furfural 450.5
    n-dodecane 14.16
    diethylene glycol 893.19
    diisopropyl ether 93.06
    tert-amyl alcohol 696.24
    acetylacetone 312.75
    n-hexadecane 14.49
    acetophenone 114.44
    methyl propionate 323.1
    isopentyl acetate 114.03
    trichloroethylene 232.0
    n-nonanol 203.75
    cyclohexanol 514.84
    benzyl alcohol 178.97
    2-ethylhexanol 168.69
    isooctanol 123.96
    dipropyl ether 163.12
    1,2-dichlorobenzene 62.49
    ethyl lactate 153.67
    propylene carbonate 299.43
    n-methylformamide 877.46
    2-pentanol 476.93
    n-pentane 69.24
    1-propoxy-2-propanol 422.29
    1-methoxy-2-propyl acetate 185.6
    2-(2-methoxypropoxy) propanol 311.36
    mesitylene 38.47
    ε-caprolactone 415.87
    p-cymene 36.23
    epichlorohydrin 451.21
    1,1,1-trichloroethane 157.46
    2-aminoethanol 1566.93
    morpholine-4-carbaldehyde 892.24
    sulfolane 549.44
    2,2,4-trimethylpentane 29.68
    2-methyltetrahydrofuran 610.2
    n-hexyl acetate 231.88
    isooctane 22.05
    2-(2-butoxyethoxy)ethanol 457.64
    sec-butyl acetate 100.26
    tert-butyl acetate 185.94
    decalin 22.12
    glycerin 1511.91
    diglyme 592.63
    acrylic acid 857.52
    isopropyl myristate 89.11
    n-butyric acid 730.46
    acetyl acetate 205.51
    di(2-ethylhexyl) phthalate 96.08
    ethyl propionate 149.95
    nitromethane 1406.85
    1,2-diethoxyethane 223.65
    benzonitrile 142.55
    trioctyl phosphate 80.16
    1-bromopropane 118.53
    gamma-valerolactone 732.22
    n-decanol 142.64
    triethyl phosphate 60.8
    4-methyl-2-pentanol 197.39
    propionitrile 396.07
    vinylene carbonate 258.29
    1,1,2-trichlorotrifluoroethane 492.15
    DMS 159.8
    cumene 34.58
    2-octanol 126.48
    2-hexanone 208.42
    octyl acetate 127.31
    limonene 66.24
    1,2-dimethoxyethane 737.86
    ethyl orthosilicate 63.34
    tributyl phosphate 89.54
    diacetone alcohol 345.71
    N,N-dimethylaniline 98.35
    acrylonitrile 394.99
    aniline 166.88
    1,3-propanediol 1272.77
    bromobenzene 39.28
    dibromomethane 152.71
    1,1,2,2-tetrachloroethane 204.22
    2-methyl-cyclohexyl acetate 98.05
    tetrabutyl urea 123.14
    diisobutyl methanol 80.35
    2-phenylethanol 155.46
    styrene 36.39
    dioctyl adipate 132.37
    dimethyl sulfate 196.43
    ethyl butyrate 99.54
    methyl lactate 297.2
    butyl lactate 134.46
    diethyl carbonate 70.38
    propanediol butyl ether 417.25
    triethyl orthoformate 83.49
    p-tert-butyltoluene 39.01
    methyl 4-tert-butylbenzoate 159.39
    morpholine 1023.43
    tert-butylamine 596.4
    n-dodecanol 106.61
    dimethoxymethane 549.12
    ethylene carbonate 232.35
    cyrene 257.14
    2-ethoxyethyl acetate 165.52
    2-ethylhexyl acetate 82.73
    1,2,4-trichlorobenzene 89.23
    4-methylpyridine 221.88
    dibutyl ether 135.46
    2,6-dimethyl-4-heptanol 80.35
    DEF 382.67
    dimethyl isosorbide 348.62
    tetrachloroethylene 154.14
    eugenol 178.18
    triacetin 208.38
    span 80 303.8
    1,4-butanediol 557.76
    1,1-dichloroethane 203.35
    2-methyl-1-pentanol 292.52
    methyl formate 615.33
    2-methyl-1-butanol 488.55
    n-decane 24.19
    butyronitrile 337.51
    3,7-dimethyl-1-octanol 186.16
    1-chlorooctane 80.07
    1-chlorotetradecane 34.25
    n-nonane 24.87
    undecane 17.54
    tert-butylcyclohexane 28.85
    cyclooctane 17.21
    cyclopentanol 681.24
    tetrahydropyran 588.34
    tert-amyl methyl ether 254.53
    2,5,8-trioxanonane 452.15
    1-hexene 133.69
    2-isopropoxyethanol 444.17
    2,2,2-trifluoroethanol 749.37
    methyl butyrate 197.29

    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