Ethyl 9-hydroxynonanoate

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  • Identifiers

    CAS number
    3639-34-7

    Molecular formula
    C11H22O3

    SMILES
    CCOC(=O)CCCCCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 69.0%
    Oily 47.18%
    Fatty 40.59%
    Sweet 40.03%
    Fresh 34.22%
    Winey 33.85%
    Waxy 29.22%
    Floral 29.09%
    Peach 26.68%
    Ethereal 25.25%

     

    Flavor
    Fruity 78.96%
    Waxy 60.67%
    Sweet 56.79%
    Green 53.65%
    Pineapple 49.05%
    Fruit 46.67%
    Tropical 45.5%
    Wine 41.33%
    Pear 41.05%
    Apple 39.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.0 (weak base)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 130.27 ˚C est.

  • Synonyms

    • Ethyl 9-hydroxynonanoate
    • 3639-34-7
    • DTXSID70394221
    • RefChem:344701
    • DTXCID20345081
    • 8-ETHOXYCARBONYLOCTANOL
    • 8-Ethoxycarbonyloctan-1-ol; Ethyl 9-Hydroxynonanoate; 9-Hydroxynonanoic Acid
    • ethyl-9-hydroxynonanoate
    • 8-ethoxycarbonyl-1-octanol
    • SCHEMBL1896403
    • SCHEMBL7296831
    • 9-Hydroxy-nonanoic AcidEthyl Ester
    • AKOS030240284
    • DA-21083
    • 3639-34-7

  • Applications

    Ethyl 9-hydroxynonanoate (CAS 3639-34-7) is used in perfumery as an odorant and can function as a fragrance fixative to extend fragrance duration. In cosmetics and personal care, it may serve as an aroma ingredient and, due to its ester functionality, can act as a mild emollient or solvent in formulations. As an organic synthesis intermediate, it is used in the preparation of other fragrance compounds and aroma chemicals. In industrial manufacturing, it may be evaluated as a specialty ester for formulation ingredients in coatings, inks, or cleaning products that incorporate fragrance components.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3318.85
    methanol 5440.3
    isopropanol 2202.98
    water 0.48
    ethyl acetate 1395.09
    n-propanol 2137.53
    acetone 3407.9
    n-butanol 1609.73
    acetonitrile 1480.92
    DMF 2462.1
    toluene 293.34
    isobutanol 1294.27
    1,4-dioxane 1866.59
    methyl acetate 901.66
    THF 3057.86
    2-butanone 1468.06
    n-pentanol 972.17
    sec-butanol 1350.42
    n-hexane 132.26
    ethylene glycol 335.65
    NMP 1480.94
    cyclohexane 200.01
    DMSO 5380.04
    n-butyl acetate 862.07
    n-octanol 265.61
    chloroform 1916.17
    n-propyl acetate 935.75
    acetic acid 2016.82
    dichloromethane 2100.93
    cyclohexanone 2120.05
    propylene glycol 552.5
    isopropyl acetate 802.99
    DMAc 1272.14
    2-ethoxyethanol 1308.35
    isopentanol 1163.98
    n-heptane 49.82
    ethyl formate 802.32
    1,2-dichloroethane 1568.46
    n-hexanol 677.81
    2-methoxyethanol 2461.42
    isobutyl acetate 531.77
    tetrachloromethane 256.14
    n-pentyl acetate 503.75
    transcutol 3176.78
    n-heptanol 245.77
    ethylbenzene 180.14
    MIBK 710.96
    2-propoxyethanol 1054.26
    tert-butanol 2128.56
    MTBE 1189.99
    2-butoxyethanol 561.09
    propionic acid 1130.37
    o-xylene 201.73
    formic acid 644.88
    diethyl ether 1517.49
    m-xylene 216.96
    p-xylene 235.89
    chlorobenzene 522.6
    dimethyl carbonate 217.91
    n-octane 20.68
    formamide 925.96
    cyclopentanone 2107.83
    2-pentanone 1435.73
    anisole 407.56
    cyclopentyl methyl ether 1218.95
    gamma-butyrolactone 2056.55
    1-methoxy-2-propanol 1575.91
    pyridine 1316.44
    3-pentanone 711.82
    furfural 1366.65
    n-dodecane 15.74
    diethylene glycol 778.72
    diisopropyl ether 265.46
    tert-amyl alcohol 1275.56
    acetylacetone 1219.43
    n-hexadecane 18.37
    acetophenone 435.43
    methyl propionate 776.47
    isopentyl acetate 672.63
    trichloroethylene 2231.3
    n-nonanol 219.02
    cyclohexanol 1202.8
    benzyl alcohol 447.0
    2-ethylhexanol 364.43
    isooctanol 210.09
    dipropyl ether 470.52
    1,2-dichlorobenzene 458.38
    ethyl lactate 312.84
    propylene carbonate 899.25
    n-methylformamide 1300.68
    2-pentanol 899.12
    n-pentane 90.32
    1-propoxy-2-propanol 779.61
    1-methoxy-2-propyl acetate 629.12
    2-(2-methoxypropoxy) propanol 454.11
    mesitylene 146.65
    ε-caprolactone 1457.18
    p-cymene 115.63
    epichlorohydrin 2019.48
    1,1,1-trichloroethane 1015.04
    2-aminoethanol 957.11
    morpholine-4-carbaldehyde 1386.96
    sulfolane 2348.08
    2,2,4-trimethylpentane 44.02
    2-methyltetrahydrofuran 1987.51
    n-hexyl acetate 600.58
    isooctane 33.06
    2-(2-butoxyethoxy)ethanol 749.4
    sec-butyl acetate 513.21
    tert-butyl acetate 773.74
    decalin 73.81
    glycerin 669.29
    diglyme 1414.5
    acrylic acid 801.64
    isopropyl myristate 185.8
    n-butyric acid 1850.15
    acetyl acetate 634.91
    di(2-ethylhexyl) phthalate 186.05
    ethyl propionate 642.21
    nitromethane 2657.17
    1,2-diethoxyethane 884.52
    benzonitrile 603.56
    trioctyl phosphate 143.14
    1-bromopropane 950.49
    gamma-valerolactone 2237.97
    n-decanol 146.76
    triethyl phosphate 210.62
    4-methyl-2-pentanol 388.32
    propionitrile 994.02
    vinylene carbonate 734.54
    1,1,2-trichlorotrifluoroethane 1380.89
    DMS 374.47
    cumene 123.9
    2-octanol 181.91
    2-hexanone 924.96
    octyl acetate 237.51
    limonene 209.69
    1,2-dimethoxyethane 1946.44
    ethyl orthosilicate 214.03
    tributyl phosphate 195.06
    diacetone alcohol 847.97
    N,N-dimethylaniline 269.31
    acrylonitrile 1069.94
    aniline 553.33
    1,3-propanediol 1382.55
    bromobenzene 557.4
    dibromomethane 1455.32
    1,1,2,2-tetrachloroethane 1877.33
    2-methyl-cyclohexyl acetate 378.07
    tetrabutyl urea 248.5
    diisobutyl methanol 191.27
    2-phenylethanol 364.18
    styrene 264.39
    dioctyl adipate 318.53
    dimethyl sulfate 428.15
    ethyl butyrate 526.36
    methyl lactate 377.77
    butyl lactate 422.6
    diethyl carbonate 306.31
    propanediol butyl ether 599.32
    triethyl orthoformate 333.15
    p-tert-butyltoluene 111.46
    methyl 4-tert-butylbenzoate 352.85
    morpholine 2777.63
    tert-butylamine 1076.86
    n-dodecanol 104.28
    dimethoxymethane 1104.1
    ethylene carbonate 709.59
    cyrene 420.92
    2-ethoxyethyl acetate 606.83
    2-ethylhexyl acetate 481.31
    1,2,4-trichlorobenzene 503.08
    4-methylpyridine 1111.05
    dibutyl ether 437.04
    2,6-dimethyl-4-heptanol 191.27
    DEF 1303.72
    dimethyl isosorbide 700.87
    tetrachloroethylene 1286.22
    eugenol 355.82
    triacetin 536.97
    span 80 457.6
    1,4-butanediol 493.41
    1,1-dichloroethane 1367.7
    2-methyl-1-pentanol 706.64
    methyl formate 718.77
    2-methyl-1-butanol 995.92
    n-decane 31.26
    butyronitrile 1221.31
    3,7-dimethyl-1-octanol 261.75
    1-chlorooctane 169.11
    1-chlorotetradecane 53.33
    n-nonane 31.77
    undecane 20.67
    tert-butylcyclohexane 61.1
    cyclooctane 43.37
    cyclopentanol 1362.76
    tetrahydropyran 2458.27
    tert-amyl methyl ether 664.69
    2,5,8-trioxanonane 849.04
    1-hexene 578.48
    2-isopropoxyethanol 795.02
    2,2,2-trifluoroethanol 425.33
    methyl butyrate 1043.87

    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