1-Hydroxy-3-nonanone

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  • Identifiers

    CAS number
    67801-46-1

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCC(=O)CCO

  • Odor profile

    Fragrance
    Fatty 55.14%
    Green 51.78%
    Earthy 47.9%
    Oily 46.82%
    Mushroom 46.27%
    Cheesy 43.96%
    Waxy 41.5%
    Fresh 40.8%
    Herbal 40.01%
    Sweet 39.63%

     

    Flavor
    Fatty 41.72%
    Cheese 41.63%
    Fruity 36.44%
    Oily 34.97%
    Sweet 34.2%
    Waxy 33.56%
    Herbal 32.22%
    Mushroom 31.75%
    Sweat 29.12%
    Green 28.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.75 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 113.41 ˚C est.

  • Synonyms

    • 1-Hydroxynonan-3-one
    • 1-Hydroxy-3-nonanone
    • 3-Nonanon-1-ol
    • 3-Nonanone, 1-hydroxy-
    • 67801-46-1
    • 2-Heptanoyl-1-ethanol
    • EINECS 267-167-1
    • DTXSID90867346
    • 1-Hydroxy-nonan-3-one
    • QYT24X3J39
    • SCHEMBL2531500
    • DTXCID40815539
    • CHEBI:179881
    • KCTDZLVBGWXNSQ-UHFFFAOYSA-N
    • LMFA05000601
    • NS00012643

  • Applications

    1-Hydroxy-3-nonanone (CAS 67801-46-1) is primarily used as a fragrance intermediate and odorant in perfumery, contributing to scent profiles in industrial fragrance formulations. It is commonly evaluated for use in cosmetics and personal care products as an aroma ingredient, and may appear in household products and cleaning formulations for fragrance purposes. In industrial manufacturing it serves as an intermediate for the synthesis of more complex aroma chemicals and fragrance ingredients. The molecule’s hydroxy and ketone functionalities also support potential use as a processing aid or building block in polymers/plastics chemistry, enabling incorporation into specialty materials. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7818.0
    methanol 11333.27
    isopropanol 6327.27
    water 2.37
    ethyl acetate 2363.04
    n-propanol 5531.73
    acetone 7847.93
    n-butanol 4489.19
    acetonitrile 2570.28
    DMF 4583.07
    toluene 371.72
    isobutanol 3531.76
    1,4-dioxane 3129.99
    methyl acetate 1638.74
    THF 5225.46
    2-butanone 2905.44
    n-pentanol 2232.86
    sec-butanol 3269.53
    n-hexane 406.99
    ethylene glycol 1346.01
    NMP 2421.92
    cyclohexane 369.55
    DMSO 7492.28
    n-butyl acetate 1561.64
    n-octanol 533.63
    chloroform 2444.05
    n-propyl acetate 1414.05
    acetic acid 4069.57
    dichloromethane 2081.18
    cyclohexanone 3571.94
    propylene glycol 1956.06
    isopropyl acetate 1262.19
    DMAc 1723.44
    2-ethoxyethanol 2258.53
    isopentanol 3004.55
    n-heptane 132.34
    ethyl formate 1323.3
    1,2-dichloroethane 1831.45
    n-hexanol 1935.8
    2-methoxyethanol 5127.82
    isobutyl acetate 758.97
    tetrachloromethane 479.85
    n-pentyl acetate 707.12
    transcutol 5372.34
    n-heptanol 540.92
    ethylbenzene 216.86
    MIBK 1141.86
    2-propoxyethanol 2322.75
    tert-butanol 5485.6
    MTBE 2341.49
    2-butoxyethanol 1015.27
    propionic acid 2641.43
    o-xylene 251.65
    formic acid 1314.84
    diethyl ether 2592.57
    m-xylene 308.02
    p-xylene 300.7
    chlorobenzene 625.1
    dimethyl carbonate 332.18
    n-octane 38.97
    formamide 1623.9
    cyclopentanone 3730.33
    2-pentanone 2732.14
    anisole 548.94
    cyclopentyl methyl ether 2235.76
    gamma-butyrolactone 3209.1
    1-methoxy-2-propanol 3320.2
    pyridine 1844.92
    3-pentanone 1296.69
    furfural 1888.0
    n-dodecane 23.0
    diethylene glycol 1761.52
    diisopropyl ether 518.63
    tert-amyl alcohol 2809.35
    acetylacetone 1855.87
    n-hexadecane 26.57
    acetophenone 515.02
    methyl propionate 1395.29
    isopentyl acetate 1203.57
    trichloroethylene 2720.56
    n-nonanol 411.93
    cyclohexanol 2616.41
    benzyl alcohol 647.08
    2-ethylhexanol 846.7
    isooctanol 424.81
    dipropyl ether 963.91
    1,2-dichlorobenzene 523.94
    ethyl lactate 476.74
    propylene carbonate 1344.81
    n-methylformamide 2670.78
    2-pentanol 2349.61
    n-pentane 263.96
    1-propoxy-2-propanol 1744.05
    1-methoxy-2-propyl acetate 1041.25
    2-(2-methoxypropoxy) propanol 728.02
    mesitylene 207.16
    ε-caprolactone 2249.73
    p-cymene 159.02
    epichlorohydrin 2792.94
    1,1,1-trichloroethane 1563.58
    2-aminoethanol 2876.03
    morpholine-4-carbaldehyde 2139.82
    sulfolane 3423.26
    2,2,4-trimethylpentane 90.89
    2-methyltetrahydrofuran 3665.88
    n-hexyl acetate 933.41
    isooctane 78.3
    2-(2-butoxyethoxy)ethanol 1217.19
    sec-butyl acetate 734.67
    tert-butyl acetate 1260.97
    decalin 119.48
    glycerin 1838.34
    diglyme 2084.0
    acrylic acid 1785.25
    isopropyl myristate 263.53
    n-butyric acid 4024.19
    acetyl acetate 888.29
    di(2-ethylhexyl) phthalate 255.56
    ethyl propionate 898.17
    nitromethane 4352.74
    1,2-diethoxyethane 1424.41
    benzonitrile 848.09
    trioctyl phosphate 212.31
    1-bromopropane 1272.4
    gamma-valerolactone 3486.08
    n-decanol 273.98
    triethyl phosphate 259.87
    4-methyl-2-pentanol 857.95
    propionitrile 2095.87
    vinylene carbonate 1034.49
    1,1,2-trichlorotrifluoroethane 2136.95
    DMS 518.91
    cumene 163.42
    2-octanol 357.9
    2-hexanone 1655.78
    octyl acetate 342.34
    limonene 349.28
    1,2-dimethoxyethane 3063.07
    ethyl orthosilicate 284.88
    tributyl phosphate 289.52
    diacetone alcohol 1557.12
    N,N-dimethylaniline 331.72
    acrylonitrile 2042.41
    aniline 982.99
    1,3-propanediol 3582.42
    bromobenzene 555.72
    dibromomethane 1554.67
    1,1,2,2-tetrachloroethane 2358.44
    2-methyl-cyclohexyl acetate 509.15
    tetrabutyl urea 348.34
    diisobutyl methanol 399.39
    2-phenylethanol 627.8
    styrene 321.68
    dioctyl adipate 412.05
    dimethyl sulfate 613.71
    ethyl butyrate 786.22
    methyl lactate 715.93
    butyl lactate 622.13
    diethyl carbonate 402.88
    propanediol butyl ether 1121.53
    triethyl orthoformate 506.35
    p-tert-butyltoluene 163.35
    methyl 4-tert-butylbenzoate 444.96
    morpholine 4641.88
    tert-butylamine 2951.97
    n-dodecanol 187.98
    dimethoxymethane 1798.6
    ethylene carbonate 1017.45
    cyrene 543.82
    2-ethoxyethyl acetate 836.99
    2-ethylhexyl acetate 792.38
    1,2,4-trichlorobenzene 594.68
    4-methylpyridine 1666.07
    dibutyl ether 730.26
    2,6-dimethyl-4-heptanol 399.39
    DEF 2236.38
    dimethyl isosorbide 968.3
    tetrachloroethylene 1740.1
    eugenol 471.44
    triacetin 687.85
    span 80 731.79
    1,4-butanediol 1165.65
    1,1-dichloroethane 2035.66
    2-methyl-1-pentanol 1418.09
    methyl formate 1368.62
    2-methyl-1-butanol 2431.25
    n-decane 49.2
    butyronitrile 2431.79
    3,7-dimethyl-1-octanol 515.28
    1-chlorooctane 260.17
    1-chlorotetradecane 75.35
    n-nonane 53.74
    undecane 31.67
    tert-butylcyclohexane 117.25
    cyclooctane 82.34
    cyclopentanol 3283.22
    tetrahydropyran 4243.57
    tert-amyl methyl ether 1215.69
    2,5,8-trioxanonane 1183.56
    1-hexene 1267.12
    2-isopropoxyethanol 1373.32
    2,2,2-trifluoroethanol 857.48
    methyl butyrate 1512.14

    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