3-Hydroxy-2-octanone

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  • Identifiers

    CAS number
    37160-77-3

    Molecular formula
    C8H16O2

    SMILES
    CCCCCC(C(=O)C)O

  • Odor profile

    Fragrance
    Sweet 57.74%
    Earthy 56.08%
    Buttery 45.72%
    Herbal 44.8%
    Creamy 42.94%
    Oily 42.43%
    Mushroom 41.04%
    Nutty 39.3%
    Fatty 39.28%
    Musty 37.11%

     

    Flavor
    Herbal 44.75%
    Sweet 39.05%
    Oily 33.41%
    Mushroom 29.23%
    Cheese 28.83%
    Fruity 27.06%
    Fatty 27.0%
    Musty 25.69%
    Pungent 25.18%
    Creamy 25.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.79 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 187.00 to 188.00 °C. @ 760.00 mm Hg

    Flash point

    • 87.5 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-hydroxyoctan-2-one
    • 3-hydroxy-2-octanone
    • 37160-77-3
    • 2-Octanone, 3-hydroxy-
    • 2-octanon-3-ol
    • FEMA no. 4139
    • 3-Hydroxy-2-octanone [FHFI]
    • (+/-)-3-Hydroxy-2-octanone
    • 3-(R)-hydroxy-2-octanone
    • UNII-JF32G3I7Q1
    • 3-Hydroxy-2-octanone, (+/-)-
    • JF32G3I7Q1
    • DTXSID50958365
    • 3-hydroxy-octan-2-one
    • SCHEMBL1785261
    • DTXCID70216595
    • CHEBI:179942
    • LMFA12000125
    • MFCD24501514
    • SY349421
    • NS00124836
    • Q27281483

  • Applications

    3-Hydroxy-2-octanone (CAS 37160-77-3) is primarily used as an aroma compound in perfumery and cosmetic formulations, contributing fruity-green notes in personal care products; it is also considered an odorant component in cosmetics. In the food and beverage sector, it may be used as an aroma chemical within regulatory limits. In industrial manufacturing, it serves as a reactive intermediate or building block for the synthesis of fragrance and flavor derivatives. Its hydroxyl functionality supports use as a building block in broader aroma-chemical syntheses. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3348.3
    methanol 5353.97
    isopropanol 2480.28
    water 7.52
    ethyl acetate 1140.56
    n-propanol 2329.1
    acetone 2105.39
    n-butanol 1917.4
    acetonitrile 1168.64
    DMF 1507.84
    toluene 172.6
    isobutanol 1572.22
    1,4-dioxane 1826.24
    methyl acetate 846.99
    THF 2032.51
    2-butanone 1069.03
    n-pentanol 1115.6
    sec-butanol 1672.35
    n-hexane 151.55
    ethylene glycol 676.0
    NMP 1066.04
    cyclohexane 195.62
    DMSO 2239.96
    n-butyl acetate 1072.34
    n-octanol 403.6
    chloroform 1451.02
    n-propyl acetate 757.83
    acetic acid 2248.22
    dichloromethane 1119.81
    cyclohexanone 1562.16
    propylene glycol 833.64
    isopropyl acetate 664.21
    DMAc 779.87
    2-ethoxyethanol 1234.37
    isopentanol 1502.01
    n-heptane 75.74
    ethyl formate 868.88
    1,2-dichloroethane 829.02
    n-hexanol 1186.29
    2-methoxyethanol 2279.32
    isobutyl acetate 429.92
    tetrachloromethane 317.08
    n-pentyl acetate 507.9
    transcutol 3145.77
    n-heptanol 445.45
    ethylbenzene 150.84
    MIBK 537.16
    2-propoxyethanol 1360.56
    tert-butanol 2662.88
    MTBE 1285.39
    2-butoxyethanol 729.39
    propionic acid 1388.23
    o-xylene 172.27
    formic acid 1013.79
    diethyl ether 998.39
    m-xylene 161.9
    p-xylene 225.07
    chlorobenzene 402.2
    dimethyl carbonate 158.92
    n-octane 30.57
    formamide 1064.75
    cyclopentanone 1478.83
    2-pentanone 962.97
    anisole 362.74
    cyclopentyl methyl ether 822.98
    gamma-butyrolactone 1574.28
    1-methoxy-2-propanol 1419.84
    pyridine 970.62
    3-pentanone 464.8
    furfural 1226.56
    n-dodecane 19.75
    diethylene glycol 1087.03
    diisopropyl ether 268.49
    tert-amyl alcohol 1706.85
    acetylacetone 844.33
    n-hexadecane 22.26
    acetophenone 360.36
    methyl propionate 559.89
    isopentyl acetate 892.2
    trichloroethylene 1456.57
    n-nonanol 316.87
    cyclohexanol 1239.67
    benzyl alcohol 429.56
    2-ethylhexanol 632.56
    isooctanol 362.31
    dipropyl ether 483.66
    1,2-dichlorobenzene 392.12
    ethyl lactate 288.26
    propylene carbonate 823.81
    n-methylformamide 1214.01
    2-pentanol 1074.08
    n-pentane 110.99
    1-propoxy-2-propanol 988.3
    1-methoxy-2-propyl acetate 645.1
    2-(2-methoxypropoxy) propanol 524.01
    mesitylene 127.64
    ε-caprolactone 1288.04
    p-cymene 140.85
    epichlorohydrin 1343.12
    1,1,1-trichloroethane 804.51
    2-aminoethanol 1408.58
    morpholine-4-carbaldehyde 1191.09
    sulfolane 1568.41
    2,2,4-trimethylpentane 71.47
    2-methyltetrahydrofuran 1614.16
    n-hexyl acetate 627.57
    isooctane 55.67
    2-(2-butoxyethoxy)ethanol 852.98
    sec-butyl acetate 451.93
    tert-butyl acetate 665.24
    decalin 79.91
    glycerin 937.41
    diglyme 1353.41
    acrylic acid 1017.02
    isopropyl myristate 190.38
    n-butyric acid 2087.35
    acetyl acetate 534.27
    di(2-ethylhexyl) phthalate 197.94
    ethyl propionate 473.1
    nitromethane 2208.36
    1,2-diethoxyethane 846.93
    benzonitrile 583.77
    trioctyl phosphate 161.47
    1-bromopropane 489.93
    gamma-valerolactone 1738.43
    n-decanol 212.04
    triethyl phosphate 189.3
    4-methyl-2-pentanol 512.18
    propionitrile 943.31
    vinylene carbonate 708.59
    1,1,2-trichlorotrifluoroethane 1143.19
    DMS 337.65
    cumene 130.43
    2-octanol 297.16
    2-hexanone 760.56
    octyl acetate 253.19
    limonene 252.8
    1,2-dimethoxyethane 1582.48
    ethyl orthosilicate 208.44
    tributyl phosphate 215.6
    diacetone alcohol 778.35
    N,N-dimethylaniline 247.86
    acrylonitrile 955.07
    aniline 499.49
    1,3-propanediol 1789.01
    bromobenzene 336.41
    dibromomethane 782.92
    1,1,2,2-tetrachloroethane 1313.19
    2-methyl-cyclohexyl acetate 376.13
    tetrabutyl urea 233.32
    diisobutyl methanol 297.06
    2-phenylethanol 467.44
    styrene 195.53
    dioctyl adipate 289.17
    dimethyl sulfate 294.5
    ethyl butyrate 557.22
    methyl lactate 353.1
    butyl lactate 435.1
    diethyl carbonate 308.35
    propanediol butyl ether 757.72
    triethyl orthoformate 360.51
    p-tert-butyltoluene 137.13
    methyl 4-tert-butylbenzoate 345.19
    morpholine 2213.46
    tert-butylamine 1569.18
    n-dodecanol 148.76
    dimethoxymethane 663.68
    ethylene carbonate 662.19
    cyrene 406.79
    2-ethoxyethyl acetate 589.8
    2-ethylhexyl acetate 600.37
    1,2,4-trichlorobenzene 440.43
    4-methylpyridine 853.6
    dibutyl ether 403.49
    2,6-dimethyl-4-heptanol 297.06
    DEF 904.38
    dimethyl isosorbide 701.24
    tetrachloroethylene 1091.92
    eugenol 377.03
    triacetin 468.18
    span 80 513.98
    1,4-butanediol 635.79
    1,1-dichloroethane 904.74
    2-methyl-1-pentanol 870.85
    methyl formate 766.28
    2-methyl-1-butanol 1243.48
    n-decane 38.46
    butyronitrile 1200.02
    3,7-dimethyl-1-octanol 404.39
    1-chlorooctane 187.11
    1-chlorotetradecane 58.21
    n-nonane 40.68
    undecane 26.13
    tert-butylcyclohexane 79.17
    cyclooctane 47.06
    cyclopentanol 1308.96
    tetrahydropyran 1788.22
    tert-amyl methyl ether 695.78
    2,5,8-trioxanonane 817.36
    1-hexene 491.44
    2-isopropoxyethanol 805.43
    2,2,2-trifluoroethanol 572.43
    methyl butyrate 825.0

    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