Nonanoic acid, 3,5,5-trimethylhexyl ester

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  • Identifiers

    CAS number
    67923-51-7

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCC(=O)OCCC(C)CC(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 63.94%
    Oily 56.75%
    Waxy 51.25%
    Fruity 49.57%
    Rose 47.79%
    Herbal 43.13%
    Woody 41.82%
    Green 39.79%
    Fatty 38.9%
    Winey 34.79%

     

    Flavor
    Floral 49.01%
    Oily 48.63%
    Waxy 47.9%
    Green 43.7%
    Fruity 39.01%
    Mild 34.53%
    Soapy 31.57%
    Rose 30.09%
    Sweet 29.44%
    Herbal 27.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.63 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 136.53 ˚C est.

  • Synonyms

    • 3,5,5-Trimethylhexyl nonanoate
    • 67923-51-7
    • Nonanoic acid, 3,5,5-trimethylhexyl ester
    • EINECS 267-767-3
    • DTXSID50887040
    • RefChem:166460
    • DTXCID101026355
    • 3,5,5-Trimethylhexyl nonan-1-oate
    • HSAPRRNIACHOPX-UHFFFAOYSA-N
    • NS00056351
    • 67923-51-7

  • Applications

    Nonanoic acid, 3,5,5-trimethylhexyl ester (CAS 67923-51-7) is commonly used as an emollient in cosmetics and personal care formulations; it also serves as a solvent or carrier for fragrance oils and active ingredients. It can function as a plasticizer or processing aid in polymer and plastic formulations, and is employed as a solvent or plasticizer in coatings and inks. In household products, it is used as an emollient and solvent component in cleaners and polishes, and in industrial manufacturing it is used as a processing aid or additive to improve handling and texture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6869.22
    methanol 5029.5
    isopropanol 6207.1
    water 0.22
    ethyl acetate 10948.79
    n-propanol 5734.97
    acetone 9481.58
    n-butanol 5863.12
    acetonitrile 3525.82
    DMF 6361.16
    toluene 3346.01
    isobutanol 5404.89
    1,4-dioxane 6679.71
    methyl acetate 5421.58
    THF 13124.86
    2-butanone 7686.42
    n-pentanol 3513.74
    sec-butanol 5452.77
    n-hexane 1807.83
    ethylene glycol 267.79
    NMP 6432.25
    cyclohexane 2734.82
    DMSO 4776.54
    n-butyl acetate 8777.81
    n-octanol 2382.97
    chloroform 10267.12
    n-propyl acetate 6752.03
    acetic acid 3949.34
    dichloromethane 9749.01
    cyclohexanone 12453.25
    propylene glycol 847.07
    isopropyl acetate 9693.59
    DMAc 5745.61
    2-ethoxyethanol 3396.94
    isopentanol 6221.63
    n-heptane 1080.2
    ethyl formate 3392.6
    1,2-dichloroethane 7559.47
    n-hexanol 4385.12
    2-methoxyethanol 5411.04
    isobutyl acetate 5032.28
    tetrachloromethane 2098.29
    n-pentyl acetate 5821.55
    transcutol 15155.24
    n-heptanol 2256.69
    ethylbenzene 1919.07
    MIBK 6571.77
    2-propoxyethanol 5504.54
    tert-butanol 7891.57
    MTBE 11527.65
    2-butoxyethanol 3524.26
    propionic acid 3453.19
    o-xylene 2241.95
    formic acid 548.5
    diethyl ether 9163.58
    m-xylene 2796.66
    p-xylene 2649.03
    chlorobenzene 3918.58
    dimethyl carbonate 1564.44
    n-octane 443.91
    formamide 859.26
    cyclopentanone 9501.06
    2-pentanone 9088.42
    anisole 2898.36
    cyclopentyl methyl ether 9614.82
    gamma-butyrolactone 8865.37
    1-methoxy-2-propanol 5609.16
    pyridine 5089.51
    3-pentanone 5459.04
    furfural 4811.79
    n-dodecane 228.23
    diethylene glycol 1989.77
    diisopropyl ether 4274.1
    tert-amyl alcohol 7128.36
    acetylacetone 8092.61
    n-hexadecane 278.34
    acetophenone 2804.98
    methyl propionate 5847.55
    isopentyl acetate 9122.04
    trichloroethylene 11708.5
    n-nonanol 2024.1
    cyclohexanol 6622.3
    benzyl alcohol 1861.09
    2-ethylhexanol 3476.47
    isooctanol 2132.46
    dipropyl ether 5030.94
    1,2-dichlorobenzene 3438.96
    ethyl lactate 1628.09
    propylene carbonate 5399.74
    n-methylformamide 2788.67
    2-pentanol 5194.87
    n-pentane 1270.22
    1-propoxy-2-propanol 5532.87
    1-methoxy-2-propyl acetate 6613.4
    2-(2-methoxypropoxy) propanol 2680.55
    mesitylene 2005.69
    ε-caprolactone 10448.63
    p-cymene 1502.5
    epichlorohydrin 10416.87
    1,1,1-trichloroethane 8923.96
    2-aminoethanol 1226.86
    morpholine-4-carbaldehyde 6187.16
    sulfolane 8392.87
    2,2,4-trimethylpentane 878.34
    2-methyltetrahydrofuran 12845.51
    n-hexyl acetate 7684.73
    isooctane 715.08
    2-(2-butoxyethoxy)ethanol 4214.22
    sec-butyl acetate 5909.39
    tert-butyl acetate 10231.15
    decalin 1101.56
    glycerin 833.28
    diglyme 7919.94
    acrylic acid 1708.48
    isopropyl myristate 2249.4
    n-butyric acid 8614.21
    acetyl acetate 5024.7
    di(2-ethylhexyl) phthalate 1352.15
    ethyl propionate 5461.86
    nitromethane 5964.67
    1,2-diethoxyethane 6974.77
    benzonitrile 2998.49
    trioctyl phosphate 1205.3
    1-bromopropane 6394.81
    gamma-valerolactone 11695.85
    n-decanol 1337.74
    triethyl phosphate 1564.41
    4-methyl-2-pentanol 3387.12
    propionitrile 3583.33
    vinylene carbonate 3675.94
    1,1,2-trichlorotrifluoroethane 4842.75
    DMS 3382.06
    cumene 1430.11
    2-octanol 1890.05
    2-hexanone 5925.52
    octyl acetate 2731.6
    limonene 3225.06
    1,2-dimethoxyethane 6287.36
    ethyl orthosilicate 1753.11
    tributyl phosphate 1679.3
    diacetone alcohol 6483.08
    N,N-dimethylaniline 2029.26
    acrylonitrile 2926.85
    aniline 2920.79
    1,3-propanediol 2499.42
    bromobenzene 4425.77
    dibromomethane 7352.24
    1,1,2,2-tetrachloroethane 9860.13
    2-methyl-cyclohexyl acetate 3852.35
    tetrabutyl urea 1971.97
    diisobutyl methanol 2074.27
    2-phenylethanol 2285.32
    styrene 2083.0
    dioctyl adipate 2593.0
    dimethyl sulfate 2112.93
    ethyl butyrate 5463.52
    methyl lactate 1788.58
    butyl lactate 3294.46
    diethyl carbonate 2530.73
    propanediol butyl ether 2947.59
    triethyl orthoformate 3437.17
    p-tert-butyltoluene 1473.69
    methyl 4-tert-butylbenzoate 2782.42
    morpholine 9601.24
    tert-butylamine 5917.77
    n-dodecanol 950.7
    dimethoxymethane 5378.85
    ethylene carbonate 4209.64
    cyrene 1825.93
    2-ethoxyethyl acetate 5759.97
    2-ethylhexyl acetate 6788.22
    1,2,4-trichlorobenzene 3775.23
    4-methylpyridine 6740.49
    dibutyl ether 4949.77
    2,6-dimethyl-4-heptanol 2074.27
    DEF 8030.24
    dimethyl isosorbide 4466.38
    tetrachloroethylene 6131.51
    eugenol 2051.45
    triacetin 4601.26
    span 80 2740.49
    1,4-butanediol 880.26
    1,1-dichloroethane 9020.98
    2-methyl-1-pentanol 3825.85
    methyl formate 1850.28
    2-methyl-1-butanol 5322.11
    n-decane 516.6
    butyronitrile 5463.91
    3,7-dimethyl-1-octanol 2944.5
    1-chlorooctane 2348.65
    1-chlorotetradecane 715.08
    n-nonane 572.36
    undecane 323.45
    tert-butylcyclohexane 1055.86
    cyclooctane 855.77
    cyclopentanol 5120.12
    tetrahydropyran 13498.85
    tert-amyl methyl ether 7602.76
    2,5,8-trioxanonane 3855.44
    1-hexene 4452.13
    2-isopropoxyethanol 3396.15
    2,2,2-trifluoroethanol 1009.79
    methyl butyrate 7025.97

    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