(S)-2-Hydroxy-3-pentanone

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  • Identifiers

    CAS number
    125948-63-2

    Molecular formula
    C5H10O2

    SMILES
    CCC(=O)[C@H](C)O

    Safety labels

  • Odor profile

    Fragrance
    Buttery 67.24%
    Caramellic 55.56%
    Nutty 52.8%
    Sweet 47.62%
    Creamy 46.0%
    Fatty 40.69%
    Milky 36.56%
    Earthy 34.35%
    Dairy 33.72%
    Oily 31.89%

     

    Flavor
    Sweet 64.02%
    Buttery 51.85%
    Creamy 51.3%
    Butter 46.36%
    Caramel 42.25%
    Milky 39.37%
    Pungent 37.18%
    Musty 33.06%
    Fatty 32.93%
    Cheese 31.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.19 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    163°C

    Flash point

    • 60.48 ˚C est.

  • Synonyms

    • (S)-2-Hydroxy-3-pentanone
    • (2S)-2-hydroxypentan-3-one
    • RefChem:1051154
    • (S)-2-Hydroxypentan-3-one
    • 125948-63-2
    • (s)-4-hydroxy-3-pentanone
    • SCHEMBL1820421
    • SY423434
    • 125948-63-2

  • Applications

    For (S)-2-Hydroxy-3-pentanone, CAS 125948-63-2, the compound is primarily used as a chiral building block and intermediate in organic synthesis, enabling enantioselective routes for pharmaceuticals and fine chemicals. It is commonly regarded as a precursor for the synthesis of beta-hydroxy ketones and other chiral motifs. In the fragrance and flavor industries, the compound may serve as an aroma intermediate or component in fragrance design. In cosmetics and personal care, it is utilized as a synthetic intermediate for fragrance-related ingredients or actives. In broader chemical synthesis and industrial research, it can be used as a starting material or intermediate for agrochemical and materials-related applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 733.08
    methanol 1442.04
    isopropanol 451.0
    water 174.6
    ethyl acetate 157.04
    n-propanol 476.03
    acetone 316.29
    n-butanol 390.96
    acetonitrile 340.92
    DMF 442.69
    toluene 33.95
    isobutanol 354.72
    1,4-dioxane 462.22
    methyl acetate 185.13
    THF 457.59
    2-butanone 205.56
    n-pentanol 306.72
    sec-butanol 346.91
    n-hexane 38.35
    ethylene glycol 354.75
    NMP 439.23
    cyclohexane 32.38
    DMSO 607.99
    n-butyl acetate 149.84
    n-octanol 143.21
    chloroform 308.81
    n-propyl acetate 121.92
    acetic acid 908.34
    dichloromethane 358.73
    cyclohexanone 295.95
    propylene glycol 242.52
    isopropyl acetate 94.56
    DMAc 313.81
    2-ethoxyethanol 479.62
    isopentanol 328.85
    n-heptane 25.51
    ethyl formate 204.43
    1,2-dichloroethane 208.74
    n-hexanol 230.98
    2-methoxyethanol 656.21
    isobutyl acetate 74.59
    tetrachloromethane 93.06
    n-pentyl acetate 128.9
    transcutol 979.37
    n-heptanol 136.11
    ethylbenzene 37.58
    MIBK 117.91
    2-propoxyethanol 336.59
    tert-butanol 532.22
    MTBE 245.95
    2-butoxyethanol 235.81
    propionic acid 391.95
    o-xylene 46.94
    formic acid 879.97
    diethyl ether 191.59
    m-xylene 36.0
    p-xylene 58.72
    chlorobenzene 84.19
    dimethyl carbonate 43.98
    n-octane 14.06
    formamide 748.3
    cyclopentanone 343.85
    2-pentanone 162.59
    anisole 109.56
    cyclopentyl methyl ether 181.02
    gamma-butyrolactone 438.97
    1-methoxy-2-propanol 335.02
    pyridine 198.57
    3-pentanone 110.15
    furfural 430.67
    n-dodecane 10.64
    diethylene glycol 362.42
    diisopropyl ether 58.32
    tert-amyl alcohol 426.6
    acetylacetone 168.37
    n-hexadecane 11.21
    acetophenone 113.67
    methyl propionate 116.81
    isopentyl acetate 135.92
    trichloroethylene 327.76
    n-nonanol 114.16
    cyclohexanol 244.27
    benzyl alcohol 143.1
    2-ethylhexanol 133.17
    isooctanol 111.78
    dipropyl ether 91.98
    1,2-dichlorobenzene 100.42
    ethyl lactate 76.73
    propylene carbonate 195.43
    n-methylformamide 400.72
    2-pentanol 224.69
    n-pentane 34.38
    1-propoxy-2-propanol 203.04
    1-methoxy-2-propyl acetate 120.99
    2-(2-methoxypropoxy) propanol 190.44
    mesitylene 31.37
    ε-caprolactone 267.2
    p-cymene 42.3
    epichlorohydrin 374.86
    1,1,1-trichloroethane 146.66
    2-aminoethanol 489.44
    morpholine-4-carbaldehyde 448.79
    sulfolane 479.44
    2,2,4-trimethylpentane 29.09
    2-methyltetrahydrofuran 343.47
    n-hexyl acetate 175.69
    isooctane 17.69
    2-(2-butoxyethoxy)ethanol 290.14
    sec-butyl acetate 79.28
    tert-butyl acetate 124.57
    decalin 22.19
    glycerin 359.96
    diglyme 458.39
    acrylic acid 354.06
    isopropyl myristate 64.74
    n-butyric acid 392.02
    acetyl acetate 108.59
    di(2-ethylhexyl) phthalate 74.53
    ethyl propionate 88.3
    nitromethane 724.94
    1,2-diethoxyethane 229.32
    benzonitrile 167.62
    trioctyl phosphate 60.23
    1-bromopropane 121.7
    gamma-valerolactone 450.92
    n-decanol 78.81
    triethyl phosphate 61.14
    4-methyl-2-pentanol 138.85
    propionitrile 205.34
    vinylene carbonate 184.85
    1,1,2-trichlorotrifluoroethane 333.95
    DMS 104.28
    cumene 42.43
    2-octanol 96.98
    2-hexanone 149.8
    octyl acetate 83.3
    limonene 68.08
    1,2-dimethoxyethane 467.21
    ethyl orthosilicate 64.88
    tributyl phosphate 76.2
    diacetone alcohol 198.46
    N,N-dimethylaniline 89.35
    acrylonitrile 261.08
    aniline 113.7
    1,3-propanediol 556.76
    bromobenzene 62.64
    dibromomethane 218.95
    1,1,2,2-tetrachloroethane 261.85
    2-methyl-cyclohexyl acetate 102.09
    tetrabutyl urea 90.22
    diisobutyl methanol 78.68
    2-phenylethanol 126.38
    styrene 44.64
    dioctyl adipate 95.9
    dimethyl sulfate 96.62
    ethyl butyrate 101.06
    methyl lactate 97.26
    butyl lactate 113.15
    diethyl carbonate 67.9
    propanediol butyl ether 220.83
    triethyl orthoformate 83.55
    p-tert-butyltoluene 38.68
    methyl 4-tert-butylbenzoate 128.73
    morpholine 459.71
    tert-butylamine 319.69
    n-dodecanol 58.48
    dimethoxymethane 204.23
    ethylene carbonate 149.08
    cyrene 180.68
    2-ethoxyethyl acetate 168.85
    2-ethylhexyl acetate 102.38
    1,2,4-trichlorobenzene 115.68
    4-methylpyridine 177.48
    dibutyl ether 112.09
    2,6-dimethyl-4-heptanol 78.68
    DEF 207.33
    dimethyl isosorbide 267.23
    tetrachloroethylene 254.41
    eugenol 149.01
    triacetin 152.82
    span 80 167.5
    1,4-butanediol 314.48
    1,1-dichloroethane 156.12
    2-methyl-1-pentanol 267.97
    methyl formate 273.1
    2-methyl-1-butanol 324.2
    n-decane 18.09
    butyronitrile 232.24
    3,7-dimethyl-1-octanol 126.12
    1-chlorooctane 64.14
    1-chlorotetradecane 25.01
    n-nonane 18.77
    undecane 13.07
    tert-butylcyclohexane 25.97
    cyclooctane 12.71
    cyclopentanol 325.23
    tetrahydropyran 290.04
    tert-amyl methyl ether 192.33
    2,5,8-trioxanonane 318.87
    1-hexene 93.84
    2-isopropoxyethanol 282.09
    2,2,2-trifluoroethanol 327.08
    methyl butyrate 151.1

    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