1-Hydroxy-2-pentanone

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  • Identifiers

    CAS number
    64502-89-2

    Molecular formula
    C5H10O2

    SMILES
    CCCC(=O)CO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sweet 59.63%
    Caramellic 58.49%
    Buttery 58.27%
    Fruity 45.66%
    Ethereal 44.57%
    Nutty 40.33%
    Oily 39.75%
    Pungent 37.63%
    Creamy 34.13%
    Fermented 33.64%

    Scent© AI

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    8.52 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point est.
    73.93 ˚C

  • Synonyms

    • 1-Hydroxy-2-pentanone
    • 1-hydroxypentan-2-one
    • 64502-89-2
    • 2-Pentanone, 1-hydroxy-
    • 1-Oxidanylpentan-2-one
    • P3W2XE7B3M
    • 1-hydroxy-pentan-2-one
    • DTXSID20334859
    • UNII-P3W2XE7B3M
    • SCHEMBL309971
    • CHEBI:89466
    • DTXCID70285948
    • AKOS011320059
    • CS-0239089
    • EN300-205426
    • Q27161662

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 624.15
    methanol 1409.59
    isopropanol 398.26
    water 87.82
    ethyl acetate 105.35
    n-propanol 408.43
    acetone 240.2
    n-butanol 306.1
    acetonitrile 207.85
    DMF 499.65
    toluene 16.03
    isobutanol 263.01
    1,4-dioxane 345.59
    methyl acetate 135.97
    THF 369.15
    2-butanone 128.36
    n-pentanol 195.11
    sec-butanol 246.45
    n-hexane 12.6
    ethylene glycol 538.07
    NMP 484.22
    cyclohexane 13.12
    DMSO 809.24
    n-butyl acetate 134.93
    n-octanol 112.68
    chloroform 205.62
    n-propyl acetate 96.99
    acetic acid 857.65
    dichloromethane 188.38
    cyclohexanone 235.07
    propylene glycol 361.75
    isopropyl acetate 62.44
    DMAc 259.41
    2-ethoxyethanol 322.23
    isopentanol 200.71
    n-heptane 13.75
    ethyl formate 145.1
    1,2-dichloroethane 121.31
    n-hexanol 224.87
    2-methoxyethanol 580.74
    isobutyl acetate 65.86
    tetrachloromethane 46.41
    n-pentyl acetate 86.33
    transcutol 698.03
    n-heptanol 112.32
    ethylbenzene 20.68
    MIBK 78.26
    2-propoxyethanol 363.85
    tert-butanol 403.9
    MTBE 125.15
    2-butoxyethanol 210.66
    propionic acid 376.33
    o-xylene 27.27
    formic acid 719.66
    diethyl ether 78.79
    m-xylene 23.41
    p-xylene 29.35
    chlorobenzene 61.28
    dimethyl carbonate 39.49
    n-octane 7.0
    formamide 454.33
    cyclopentanone 299.14
    2-pentanone 100.97
    anisole 75.42
    cyclopentyl methyl ether 123.18
    gamma-butyrolactone 408.55
    1-methoxy-2-propanol 328.61
    pyridine 131.91
    3-pentanone 65.07
    furfural 358.49
    n-dodecane 7.17
    diethylene glycol 437.02
    diisopropyl ether 27.64
    tert-amyl alcohol 257.01
    acetylacetone 131.6
    n-hexadecane 7.58
    acetophenone 88.99
    methyl propionate 91.0
    isopentyl acetate 119.77
    trichloroethylene 235.23
    n-nonanol 89.28
    cyclohexanol 192.12
    benzyl alcohol 110.3
    2-ethylhexanol 117.25
    isooctanol 91.45
    dipropyl ether 71.62
    1,2-dichlorobenzene 75.37
    ethyl lactate 89.26
    propylene carbonate 196.74
    n-methylformamide 365.67
    2-pentanol 151.45
    n-pentane 10.12
    1-propoxy-2-propanol 254.5
    1-methoxy-2-propyl acetate 118.08
    2-(2-methoxypropoxy) propanol 188.64
    mesitylene 22.32
    ε-caprolactone 218.98
    p-cymene 32.45
    epichlorohydrin 281.4
    1,1,1-trichloroethane 89.97
    2-aminoethanol 569.69
    morpholine-4-carbaldehyde 395.38
    sulfolane 583.85
    2,2,4-trimethylpentane 11.9
    2-methyltetrahydrofuran 224.28
    n-hexyl acetate 132.27
    isooctane 9.47
    2-(2-butoxyethoxy)ethanol 269.53
    sec-butyl acetate 55.8
    tert-butyl acetate 87.1
    decalin 12.01
    glycerin 517.2
    diglyme 405.56
    acrylic acid 401.9
    isopropyl myristate 53.67
    n-butyric acid 347.78
    acetyl acetate 76.69
    di(2-ethylhexyl) phthalate 72.65
    ethyl propionate 67.55
    nitromethane 593.95
    1,2-diethoxyethane 136.42
    benzonitrile 122.09
    trioctyl phosphate 62.66
    1-bromopropane 57.39
    gamma-valerolactone 390.07
    n-decanol 67.28
    triethyl phosphate 51.64
    4-methyl-2-pentanol 87.88
    propionitrile 139.7
    vinylene carbonate 178.37
    1,1,2-trichlorotrifluoroethane 344.07
    DMS 88.78
    cumene 25.56
    2-octanol 73.63
    2-hexanone 98.09
    octyl acetate 74.41
    limonene 49.59
    1,2-dimethoxyethane 332.48
    ethyl orthosilicate 49.94
    tributyl phosphate 69.99
    diacetone alcohol 180.62
    N,N-dimethylaniline 61.3
    acrylonitrile 206.12
    aniline 76.71
    1,3-propanediol 546.08
    bromobenzene 43.97
    dibromomethane 114.3
    1,1,2,2-tetrachloroethane 209.24
    2-methyl-cyclohexyl acetate 86.98
    tetrabutyl urea 87.26
    diisobutyl methanol 67.17
    2-phenylethanol 115.93
    styrene 25.45
    dioctyl adipate 89.85
    dimethyl sulfate 104.12
    ethyl butyrate 83.8
    methyl lactate 128.82
    butyl lactate 110.24
    diethyl carbonate 57.15
    propanediol butyl ether 238.5
    triethyl orthoformate 66.65
    p-tert-butyltoluene 32.66
    methyl 4-tert-butylbenzoate 117.92
    morpholine 376.31
    tert-butylamine 205.29
    n-dodecanol 53.48
    dimethoxymethane 164.42
    ethylene carbonate 136.85
    cyrene 168.7
    2-ethoxyethyl acetate 110.18
    2-ethylhexyl acetate 81.64
    1,2,4-trichlorobenzene 91.54
    4-methylpyridine 111.58
    dibutyl ether 67.79
    2,6-dimethyl-4-heptanol 67.17
    DEF 156.19
    dimethyl isosorbide 246.4
    tetrachloroethylene 175.93
    eugenol 146.37
    triacetin 131.11
    span 80 182.23
    1,4-butanediol 268.8
    1,1-dichloroethane 96.91
    2-methyl-1-pentanol 157.23
    methyl formate 243.69
    2-methyl-1-butanol 191.81
    n-decane 10.47
    butyronitrile 144.57
    3,7-dimethyl-1-octanol 102.14
    1-chlorooctane 45.98
    1-chlorotetradecane 19.82
    n-nonane 10.44
    undecane 8.3
    tert-butylcyclohexane 15.79
    cyclooctane 5.43
    cyclopentanol 276.35
    tetrahydropyran 200.36
    tert-amyl methyl ether 88.64
    2,5,8-trioxanonane 303.47
    1-hexene 39.12
    2-isopropoxyethanol 207.53
    2,2,2-trifluoroethanol 270.62
    methyl butyrate 114.5

    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