Nonanal, 5-ethyl-2-methyl-

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  • Identifiers

    CAS number
    68141-14-0

    Molecular formula
    C12H24O

    SMILES
    CCCCC(CC)CCC(C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 70.91%
    Waxy 63.96%
    Fatty 58.86%
    Green 57.42%
    Fruity 55.86%
    Fresh 55.84%
    Aldehydic 54.66%
    Floral 54.26%
    Orange 48.6%
    Sweet 43.58%

     

    Flavor
    Waxy 58.55%
    Citrus 58.35%
    Fresh 52.9%
    Floral 49.91%
    Green 45.51%
    Aldehydic 44.85%
    Herbal 35.25%
    Orange 34.81%
    Fat 33.75%
    Fatty 32.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.97 (neutral)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    225°C

    Flash point

    • 92.17 ˚C est.

  • Synonyms

    • 5-Ethyl-2-methylnonanal
    • 68141-14-0
    • Nonanal, 5-ethyl-2-methyl-
    • EINECS 268-836-0
    • DTXSID00867498
    • RefChem:166436
    • DTXCID90815680
    • 5-Ethyl-2-methylnonan-1-al
    • 5-ethyl-2-methyl nonanal
    • SCHEMBL20608634
    • VITZPKQAMWMVFA-UHFFFAOYSA-N
    • AKOS013991525
    • NS00060576
    • 68141-14-0

  • Applications

    Nonanal, 5-ethyl-2-methyl- (CAS 68141-14-0) is a branched aldehyde widely used as an odorant in perfumery, contributing green, waxy, and fruity notes. It is also used as a fragrance ingredient in cosmetics and personal care products and in household air-care formulations. It may function as a flavor precursor or aroma component in limited food applications. As an industrial intermediate, it provides a building block for the synthesis of other fragrance compounds and esters. In coatings, inks, and cleaning products, it can be included as a scent additive, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12414.12
    methanol 6617.57
    isopropanol 14943.19
    water 0.06
    ethyl acetate 15682.13
    n-propanol 12591.35
    acetone 18861.1
    n-butanol 11600.03
    acetonitrile 10390.86
    DMF 7766.63
    toluene 3822.97
    isobutanol 9696.25
    1,4-dioxane 11446.15
    methyl acetate 8926.14
    THF 17990.14
    2-butanone 15939.71
    n-pentanol 6839.2
    sec-butanol 11687.9
    n-hexane 4241.14
    ethylene glycol 360.0
    NMP 4244.44
    cyclohexane 4367.43
    DMSO 7949.67
    n-butyl acetate 14026.86
    n-octanol 2166.77
    chloroform 14528.37
    n-propyl acetate 10060.51
    acetic acid 3340.27
    dichloromethane 15881.4
    cyclohexanone 16684.46
    propylene glycol 1165.76
    isopropyl acetate 9346.87
    DMAc 3773.23
    2-ethoxyethanol 5238.03
    isopentanol 10012.83
    n-heptane 1762.01
    ethyl formate 6071.79
    1,2-dichloroethane 12429.9
    n-hexanol 8038.68
    2-methoxyethanol 8562.18
    isobutyl acetate 4834.37
    tetrachloromethane 3339.95
    n-pentyl acetate 5194.73
    transcutol 13201.84
    n-heptanol 2470.29
    ethylbenzene 2271.39
    MIBK 6906.04
    2-propoxyethanol 7935.86
    tert-butanol 15911.6
    MTBE 16845.74
    2-butoxyethanol 3768.34
    propionic acid 4515.61
    o-xylene 1949.04
    formic acid 423.43
    diethyl ether 18496.0
    m-xylene 2479.66
    p-xylene 2779.21
    chlorobenzene 4801.59
    dimethyl carbonate 1026.81
    n-octane 519.93
    formamide 991.33
    cyclopentanone 13237.47
    2-pentanone 15383.43
    anisole 3566.1
    cyclopentyl methyl ether 10376.0
    gamma-butyrolactone 10387.17
    1-methoxy-2-propanol 7796.14
    pyridine 9752.71
    3-pentanone 7574.5
    furfural 5978.74
    n-dodecane 204.88
    diethylene glycol 2391.04
    diisopropyl ether 4961.18
    tert-amyl alcohol 10426.77
    acetylacetone 7715.51
    n-hexadecane 247.67
    acetophenone 2672.54
    methyl propionate 7336.21
    isopentyl acetate 10229.59
    trichloroethylene 15947.01
    n-nonanol 1709.98
    cyclohexanol 8949.64
    benzyl alcohol 2371.24
    2-ethylhexanol 5104.91
    isooctanol 2162.02
    dipropyl ether 9790.82
    1,2-dichlorobenzene 3625.09
    ethyl lactate 1630.08
    propylene carbonate 5359.8
    n-methylformamide 4365.53
    2-pentanol 9055.99
    n-pentane 2617.25
    1-propoxy-2-propanol 8361.63
    1-methoxy-2-propyl acetate 6501.67
    2-(2-methoxypropoxy) propanol 1946.45
    mesitylene 1515.66
    ε-caprolactone 11398.46
    p-cymene 1367.57
    epichlorohydrin 13207.62
    1,1,1-trichloroethane 12593.46
    2-aminoethanol 1793.62
    morpholine-4-carbaldehyde 5228.58
    sulfolane 7811.25
    2,2,4-trimethylpentane 815.99
    2-methyltetrahydrofuran 17708.18
    n-hexyl acetate 5224.69
    isooctane 780.61
    2-(2-butoxyethoxy)ethanol 3322.88
    sec-butyl acetate 6227.4
    tert-butyl acetate 7787.91
    decalin 1098.78
    glycerin 916.24
    diglyme 7119.86
    acrylic acid 2160.64
    isopropyl myristate 1480.95
    n-butyric acid 11300.84
    acetyl acetate 4045.57
    di(2-ethylhexyl) phthalate 853.85
    ethyl propionate 7140.95
    nitromethane 6471.21
    1,2-diethoxyethane 9779.77
    benzonitrile 4303.49
    trioctyl phosphate 786.53
    1-bromopropane 12263.82
    gamma-valerolactone 12974.64
    n-decanol 1133.69
    triethyl phosphate 1353.59
    4-methyl-2-pentanol 3853.9
    propionitrile 10505.68
    vinylene carbonate 4002.52
    1,1,2-trichlorotrifluoroethane 4787.36
    DMS 2079.03
    cumene 1286.78
    2-octanol 2005.5
    2-hexanone 10186.53
    octyl acetate 1688.15
    limonene 2959.62
    1,2-dimethoxyethane 11857.7
    ethyl orthosilicate 1532.31
    tributyl phosphate 1146.5
    diacetone alcohol 5521.85
    N,N-dimethylaniline 1660.44
    acrylonitrile 7608.15
    aniline 4441.23
    1,3-propanediol 3823.93
    bromobenzene 5233.17
    dibromomethane 13081.75
    1,1,2,2-tetrachloroethane 11543.92
    2-methyl-cyclohexyl acetate 3133.42
    tetrabutyl urea 1249.48
    diisobutyl methanol 2641.68
    2-phenylethanol 2737.49
    styrene 3054.29
    dioctyl adipate 1755.76
    dimethyl sulfate 1295.78
    ethyl butyrate 8064.81
    methyl lactate 1485.59
    butyl lactate 2658.68
    diethyl carbonate 3227.09
    propanediol butyl ether 2428.58
    triethyl orthoformate 3754.44
    p-tert-butyltoluene 1306.65
    methyl 4-tert-butylbenzoate 1690.2
    morpholine 16812.17
    tert-butylamine 11729.22
    n-dodecanol 806.86
    dimethoxymethane 6181.71
    ethylene carbonate 4270.7
    cyrene 1278.68
    2-ethoxyethyl acetate 4661.12
    2-ethylhexyl acetate 7322.35
    1,2,4-trichlorobenzene 3739.54
    4-methylpyridine 10795.61
    dibutyl ether 6281.68
    2,6-dimethyl-4-heptanol 2641.68
    DEF 10151.79
    dimethyl isosorbide 3228.22
    tetrachloroethylene 7740.65
    eugenol 1500.02
    triacetin 2345.57
    span 80 1994.0
    1,4-butanediol 1190.87
    1,1-dichloroethane 16947.6
    2-methyl-1-pentanol 5484.85
    methyl formate 2449.01
    2-methyl-1-butanol 8292.39
    n-decane 485.85
    butyronitrile 14447.84
    3,7-dimethyl-1-octanol 2630.08
    1-chlorooctane 2018.69
    1-chlorotetradecane 534.01
    n-nonane 588.33
    undecane 298.78
    tert-butylcyclohexane 1121.22
    cyclooctane 1053.97
    cyclopentanol 7848.96
    tetrahydropyran 22226.89
    tert-amyl methyl ether 8357.16
    2,5,8-trioxanonane 3057.69
    1-hexene 11208.45
    2-isopropoxyethanol 4131.28
    2,2,2-trifluoroethanol 665.54
    methyl butyrate 11158.09

    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