3-Hydroxynonanal

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  • Identifiers

    CAS number
    22418-62-8

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCC(CC=O)O

  • Odor profile

    Fragrance
    Green 76.09%
    Fatty 60.32%
    Mushroom 54.4%
    Fruity 54.33%
    Earthy 52.3%
    Oily 51.86%
    Waxy 49.82%
    Fresh 45.44%
    Sweet 44.52%
    Citrus 44.3%

     

    Flavor
    Green 68.15%
    Fatty 46.32%
    Mushroom 44.98%
    Oily 43.83%
    Fresh 43.7%
    Waxy 42.95%
    Earthy 40.09%
    Herbal 36.96%
    Citrus 34.81%
    Floral 34.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.73 (neutral)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 108.31 ˚C est.

  • Synonyms

    • 3-Hydroxynonanal
    • Nonanal, 3-hydroxy-
    • 22418-62-8
    • DTXSID40945082
    • 3-hydroxy nonanal
    • SCHEMBL1784400
    • DTXCID601373408

  • Applications

    3-Hydroxynonanal is commonly used as an intermediate and an odorant in the fragrance industry, contributing to light notes with citrus and waxy character and serving as a building block for more complex fragrance compounds and aroma blends. In cosmetics and personal care, it may be used as a fragrance ingredient in perfume formulations and skin-care products. In flavor chemistry, it may be evaluated for aroma applications at low levels as an intermediate for aroma compounds. In industrial manufacturing, it can function as an intermediate in the synthesis of organic compounds and fragrance-related intermediates. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4292.66
    methanol 6032.91
    isopropanol 3291.49
    water 0.68
    ethyl acetate 1579.09
    n-propanol 3117.64
    acetone 4270.14
    n-butanol 2693.72
    acetonitrile 1263.39
    DMF 2483.0
    toluene 265.94
    isobutanol 2012.15
    1,4-dioxane 1862.15
    methyl acetate 1062.51
    THF 3985.99
    2-butanone 1991.24
    n-pentanol 1446.59
    sec-butanol 1842.09
    n-hexane 281.57
    ethylene glycol 572.11
    NMP 1481.62
    cyclohexane 250.39
    DMSO 4981.62
    n-butyl acetate 1368.06
    n-octanol 355.28
    chloroform 1495.99
    n-propyl acetate 1144.83
    acetic acid 1994.62
    dichloromethane 1359.04
    cyclohexanone 2491.44
    propylene glycol 935.36
    isopropyl acetate 917.72
    DMAc 939.24
    2-ethoxyethanol 1421.87
    isopentanol 1942.68
    n-heptane 116.12
    ethyl formate 884.74
    1,2-dichloroethane 1288.15
    n-hexanol 1503.51
    2-methoxyethanol 3183.88
    isobutyl acetate 630.62
    tetrachloromethane 297.89
    n-pentyl acetate 520.06
    transcutol 3589.65
    n-heptanol 398.59
    ethylbenzene 164.95
    MIBK 923.11
    2-propoxyethanol 1797.1
    tert-butanol 3098.53
    MTBE 1431.27
    2-butoxyethanol 746.76
    propionic acid 1518.67
    o-xylene 180.78
    formic acid 595.17
    diethyl ether 1560.25
    m-xylene 234.33
    p-xylene 225.21
    chlorobenzene 437.01
    dimethyl carbonate 217.38
    n-octane 31.21
    formamide 768.09
    cyclopentanone 2699.22
    2-pentanone 1924.19
    anisole 397.93
    cyclopentyl methyl ether 1697.76
    gamma-butyrolactone 2416.94
    1-methoxy-2-propanol 2226.45
    pyridine 1198.15
    3-pentanone 866.82
    furfural 1365.98
    n-dodecane 18.23
    diethylene glycol 1158.19
    diisopropyl ether 363.2
    tert-amyl alcohol 1661.51
    acetylacetone 1325.91
    n-hexadecane 21.09
    acetophenone 394.58
    methyl propionate 950.76
    isopentyl acetate 1024.76
    trichloroethylene 1885.8
    n-nonanol 285.21
    cyclohexanol 1685.26
    benzyl alcohol 438.58
    2-ethylhexanol 704.07
    isooctanol 316.03
    dipropyl ether 840.31
    1,2-dichlorobenzene 392.21
    ethyl lactate 361.56
    propylene carbonate 1064.48
    n-methylformamide 1551.34
    2-pentanol 1465.96
    n-pentane 159.69
    1-propoxy-2-propanol 1415.16
    1-methoxy-2-propyl acetate 891.49
    2-(2-methoxypropoxy) propanol 529.58
    mesitylene 163.62
    ε-caprolactone 1602.11
    p-cymene 133.99
    epichlorohydrin 2188.05
    1,1,1-trichloroethane 1051.85
    2-aminoethanol 1374.84
    morpholine-4-carbaldehyde 1346.43
    sulfolane 2664.44
    2,2,4-trimethylpentane 65.08
    2-methyltetrahydrofuran 2666.63
    n-hexyl acetate 652.5
    isooctane 62.24
    2-(2-butoxyethoxy)ethanol 833.33
    sec-butyl acetate 607.76
    tert-butyl acetate 950.14
    decalin 90.09
    glycerin 934.62
    diglyme 1498.6
    acrylic acid 983.81
    isopropyl myristate 202.43
    n-butyric acid 2631.0
    acetyl acetate 595.64
    di(2-ethylhexyl) phthalate 185.48
    ethyl propionate 740.37
    nitromethane 2284.77
    1,2-diethoxyethane 1068.99
    benzonitrile 570.54
    trioctyl phosphate 160.43
    1-bromopropane 827.96
    gamma-valerolactone 2476.07
    n-decanol 197.82
    triethyl phosphate 224.17
    4-methyl-2-pentanol 620.47
    propionitrile 1216.26
    vinylene carbonate 768.67
    1,1,2-trichlorotrifluoroethane 1443.81
    DMS 368.74
    cumene 126.55
    2-octanol 253.64
    2-hexanone 1297.79
    octyl acetate 249.81
    limonene 294.2
    1,2-dimethoxyethane 2162.83
    ethyl orthosilicate 238.18
    tributyl phosphate 225.14
    diacetone alcohol 1175.54
    N,N-dimethylaniline 237.07
    acrylonitrile 1216.61
    aniline 611.63
    1,3-propanediol 1979.29
    bromobenzene 392.71
    dibromomethane 1011.95
    1,1,2,2-tetrachloroethane 1535.66
    2-methyl-cyclohexyl acetate 444.72
    tetrabutyl urea 263.36
    diisobutyl methanol 346.43
    2-phenylethanol 488.21
    styrene 230.94
    dioctyl adipate 311.72
    dimethyl sulfate 403.1
    ethyl butyrate 728.01
    methyl lactate 483.65
    butyl lactate 473.56
    diethyl carbonate 354.3
    propanediol butyl ether 727.4
    triethyl orthoformate 426.21
    p-tert-butyltoluene 138.5
    methyl 4-tert-butylbenzoate 332.36
    morpholine 2852.54
    tert-butylamine 1651.9
    n-dodecanol 139.39
    dimethoxymethane 1223.24
    ethylene carbonate 751.14
    cyrene 412.89
    2-ethoxyethyl acetate 606.57
    2-ethylhexyl acetate 713.38
    1,2,4-trichlorobenzene 434.17
    4-methylpyridine 1030.95
    dibutyl ether 534.52
    2,6-dimethyl-4-heptanol 346.43
    DEF 1420.71
    dimethyl isosorbide 798.5
    tetrachloroethylene 1158.11
    eugenol 348.36
    triacetin 486.05
    span 80 524.2
    1,4-butanediol 639.15
    1,1-dichloroethane 1331.1
    2-methyl-1-pentanol 961.21
    methyl formate 823.43
    2-methyl-1-butanol 1535.41
    n-decane 37.57
    butyronitrile 1604.28
    3,7-dimethyl-1-octanol 386.36
    1-chlorooctane 193.24
    1-chlorotetradecane 57.28
    n-nonane 40.19
    undecane 24.86
    tert-butylcyclohexane 93.17
    cyclooctane 61.75
    cyclopentanol 2081.74
    tetrahydropyran 2819.47
    tert-amyl methyl ether 816.71
    2,5,8-trioxanonane 860.14
    1-hexene 908.31
    2-isopropoxyethanol 916.8
    2,2,2-trifluoroethanol 432.33
    methyl butyrate 1207.43

    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