3-Hydroxy-2-pentanone

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  • Identifiers

    CAS number
    3142-66-3

    Molecular formula
    C5H10O2

    SMILES
    CCC(C(=O)C)O

  • Odor profile

    Fragrance
    Buttery 68.16%
    Caramellic 64.21%
    Sweet 64.14%
    Creamy 53.92%
    Nutty 44.68%
    Milky 37.37%
    Dairy 37.18%
    Fatty 34.52%
    Earthy 33.03%
    Pungent 32.35%

     

    Flavor
    Sweet 51.68%
    Herbal 41.64%
    Buttery 40.41%
    Pungent 37.58%
    Creamy 37.36%
    Butter 34.57%
    Herb 31.83%
    Musty 31.33%
    Milky 31.14%
    Caramel 27.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.12 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 105.00 to 107.00 °C. @ 50.00 mm Hg

    Flash point

    • 59.58 ˚C est.

  • Synonyms

    • 3-hydroxypentan-2-one
    • 3-HYDROXY-2-PENTANONE
    • 3142-66-3
    • 2-Pentanone, 3-hydroxy-
    • Acetyl ethyl carbinol
    • Acetylethylcarbinol
    • 2-pentanon-3-ol
    • 1-Acetyl-1-propanol
    • UNII-BQA0W5LG7K
    • Methyl furan-2-carboxlate
    • 1-Hydroxypropyl methyl ketone
    • 2-Oxo-3-pentanol
    • FEMA No. 3550
    • BQA0W5LG7K
    • hydroxypentanone,3-hydroxy-2-pentanone
    • FEMA 3550
    • DTXSID00863112
    • 3-HYDROXY-2-PENTANONE [FHFI]
    • (+/-)-3-HYDROXY-2-PENTANONE
    • acetyl propanol
    • SCHEMBL107741
    • DTXCID00811779
    • CHEBI:173350
    • HY-N11411
    • LMFA12000022
    • 3-HYDROXY-2-PENTANONE, (+/-)
    • 3-HYDROXY-2-PENTANONE, (+/-)-
    • DB-270655
    • CS-0643390
    • Q27274812
    • 608-623-5

  • Applications

    3-Hydroxy-2-pentanone (CAS 3142-66-3) is a beta-hydroxy ketone recognized as a versatile intermediate in fine chemical synthesis across multiple industries; it is commonly evaluated as a fragrance intermediate for perfumery and can serve as a precursor in cosmetics and personal care formulations; it also acts as a building block in polymer and plastics synthesis, and in industrial manufacturing it may be used as an intermediate in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 625.54
    methanol 1233.11
    isopropanol 363.37
    water 187.36
    ethyl acetate 109.12
    n-propanol 392.32
    acetone 208.48
    n-butanol 325.85
    acetonitrile 235.57
    DMF 317.21
    toluene 21.37
    isobutanol 292.73
    1,4-dioxane 376.87
    methyl acetate 130.95
    THF 367.39
    2-butanone 145.11
    n-pentanol 249.28
    sec-butanol 288.54
    n-hexane 24.32
    ethylene glycol 332.79
    NMP 322.1
    cyclohexane 21.6
    DMSO 434.65
    n-butyl acetate 109.55
    n-octanol 113.75
    chloroform 210.39
    n-propyl acetate 83.55
    acetic acid 782.35
    dichloromethane 224.03
    cyclohexanone 214.58
    propylene glycol 236.47
    isopropyl acetate 67.15
    DMAc 239.84
    2-ethoxyethanol 394.09
    isopentanol 272.38
    n-heptane 17.81
    ethyl formate 146.61
    1,2-dichloroethane 129.19
    n-hexanol 208.73
    2-methoxyethanol 573.73
    isobutyl acetate 55.05
    tetrachloromethane 63.47
    n-pentyl acetate 91.64
    transcutol 825.98
    n-heptanol 114.33
    ethylbenzene 24.04
    MIBK 87.37
    2-propoxyethanol 293.29
    tert-butanol 438.86
    MTBE 186.41
    2-butoxyethanol 198.26
    propionic acid 317.16
    o-xylene 32.34
    formic acid 803.45
    diethyl ether 131.62
    m-xylene 25.38
    p-xylene 38.93
    chlorobenzene 54.25
    dimethyl carbonate 29.25
    n-octane 9.49
    formamide 601.9
    cyclopentanone 250.33
    2-pentanone 110.62
    anisole 78.88
    cyclopentyl methyl ether 139.88
    gamma-butyrolactone 315.14
    1-methoxy-2-propanol 279.06
    pyridine 137.53
    3-pentanone 73.14
    furfural 311.48
    n-dodecane 7.62
    diethylene glycol 331.2
    diisopropyl ether 42.28
    tert-amyl alcohol 361.76
    acetylacetone 120.29
    n-hexadecane 7.99
    acetophenone 80.73
    methyl propionate 79.37
    isopentyl acetate 103.6
    trichloroethylene 214.28
    n-nonanol 92.37
    cyclohexanol 201.43
    benzyl alcohol 107.65
    2-ethylhexanol 113.17
    isooctanol 92.8
    dipropyl ether 67.65
    1,2-dichlorobenzene 64.22
    ethyl lactate 60.82
    propylene carbonate 142.28
    n-methylformamide 289.49
    2-pentanol 178.43
    n-pentane 22.66
    1-propoxy-2-propanol 174.04
    1-methoxy-2-propyl acetate 96.77
    2-(2-methoxypropoxy) propanol 168.76
    mesitylene 22.9
    ε-caprolactone 197.74
    p-cymene 30.28
    epichlorohydrin 271.88
    1,1,1-trichloroethane 94.35
    2-aminoethanol 460.26
    morpholine-4-carbaldehyde 353.59
    sulfolane 348.86
    2,2,4-trimethylpentane 20.93
    2-methyltetrahydrofuran 282.35
    n-hexyl acetate 127.55
    isooctane 13.22
    2-(2-butoxyethoxy)ethanol 250.43
    sec-butyl acetate 58.28
    tert-butyl acetate 93.76
    decalin 15.32
    glycerin 351.26
    diglyme 372.42
    acrylic acid 281.9
    isopropyl myristate 49.16
    n-butyric acid 314.09
    acetyl acetate 76.7
    di(2-ethylhexyl) phthalate 61.47
    ethyl propionate 61.02
    nitromethane 518.66
    1,2-diethoxyethane 171.56
    benzonitrile 114.2
    trioctyl phosphate 47.79
    1-bromopropane 74.53
    gamma-valerolactone 339.3
    n-decanol 65.31
    triethyl phosphate 46.93
    4-methyl-2-pentanol 115.91
    propionitrile 143.27
    vinylene carbonate 132.15
    1,1,2-trichlorotrifluoroethane 270.15
    DMS 76.18
    cumene 29.59
    2-octanol 77.21
    2-hexanone 108.45
    octyl acetate 63.83
    limonene 49.35
    1,2-dimethoxyethane 352.25
    ethyl orthosilicate 50.2
    tributyl phosphate 58.94
    diacetone alcohol 162.03
    N,N-dimethylaniline 65.21
    acrylonitrile 179.07
    aniline 84.02
    1,3-propanediol 510.55
    bromobenzene 38.38
    dibromomethane 135.96
    1,1,2,2-tetrachloroethane 177.37
    2-methyl-cyclohexyl acetate 81.28
    tetrabutyl urea 68.52
    diisobutyl methanol 63.44
    2-phenylethanol 102.95
    styrene 27.51
    dioctyl adipate 75.74
    dimethyl sulfate 64.95
    ethyl butyrate 73.07
    methyl lactate 80.0
    butyl lactate 87.93
    diethyl carbonate 49.03
    propanediol butyl ether 197.0
    triethyl orthoformate 64.05
    p-tert-butyltoluene 28.73
    methyl 4-tert-butylbenzoate 101.44
    morpholine 376.79
    tert-butylamine 256.15
    n-dodecanol 49.07
    dimethoxymethane 148.68
    ethylene carbonate 108.87
    cyrene 153.27
    2-ethoxyethyl acetate 121.26
    2-ethylhexyl acetate 77.39
    1,2,4-trichlorobenzene 78.34
    4-methylpyridine 123.12
    dibutyl ether 80.19
    2,6-dimethyl-4-heptanol 63.44
    DEF 144.09
    dimethyl isosorbide 223.81
    tetrachloroethylene 169.79
    eugenol 120.46
    triacetin 117.1
    span 80 147.9
    1,4-butanediol 274.62
    1,1-dichloroethane 96.56
    2-methyl-1-pentanol 225.28
    methyl formate 194.12
    2-methyl-1-butanol 269.28
    n-decane 12.59
    butyronitrile 163.35
    3,7-dimethyl-1-octanol 104.64
    1-chlorooctane 45.63
    1-chlorotetradecane 18.21
    n-nonane 12.63
    undecane 9.34
    tert-butylcyclohexane 18.48
    cyclooctane 8.72
    cyclopentanol 271.45
    tetrahydropyran 221.44
    tert-amyl methyl ether 144.33
    2,5,8-trioxanonane 275.85
    1-hexene 62.4
    2-isopropoxyethanol 233.97
    2,2,2-trifluoroethanol 278.26
    methyl butyrate 105.88

    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