2,6-Dimethyloctanal

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  • Identifiers

    CAS number
    7779-07-9

    Molecular formula
    C10H20O

    SMILES
    CCC(C)CCCC(C)C=O

  • Odor profile

    Fragrance
    Green 78.11%
    Citrus 73.75%
    Fresh 67.19%
    Sweet 63.89%
    Aldehydic 61.92%
    Waxy 60.24%
    Floral 59.87%
    Fruity 55.47%
    Fatty 51.29%
    Orange 48.77%

     

    Flavor
    Green 60.27%
    Citrus 58.77%
    Waxy 54.35%
    Floral 52.46%
    Fresh 51.88%
    Aldehydic 50.68%
    Herbal 37.15%
    Fatty 34.72%
    Fat 33.92%
    Orange 33.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.19 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 196.00 to 197.00 °C. @ 760.00 mm Hg

    Flash point

    • 74.74 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol

  • Synonyms

    • 2,6-Dimethyloctanal
    • Octanal, 2,6-dimethyl-
    • 7779-07-9
    • FEMA No. 2390
    • 2,6-dimethyl octanal
    • N4726GT28P
    • UNII-N4726GT28P
    • 2,6-DIMETHYLOCTANAL[FHFI]
    • (+/-)-2,6-DIMETHYLOCTANAL
    • 2,6-DIMETHYLOCTANAL, (+/-)-
    • 2,6-dimethyl-octanal
    • SCHEMBL28439
    • DTXSID20864121
    • CBOBADCVMLMQRW-UHFFFAOYSA-N
    • DB-288231
    • NS00120620
    • Q27284536
    • 616-503-9

  • Applications

    2,6-Dimethyloctanal (CAS 7779-07-9) can function as an aroma ingredient and is commonly evaluated for perfumery applications, contributing green, fresh, and aldehydic notes. It may be used as an aroma chemical intermediate in the development of other fragrance compounds. In cosmetics and personal care, it can be used as a fragrance ingredient in formulations for skin and hair products; in household products, as a scent additive in cleaners and detergents. In industrial manufacturing, it is used as an intermediate for the synthesis of other fragrance chemicals or specialty esters. In coatings/inks and cleaning formulations, it may be employed to impart or adjust fragrance profiles. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8454.11
    methanol 6912.22
    isopropanol 7759.91
    water 0.3
    ethyl acetate 8660.19
    n-propanol 7153.53
    acetone 8566.47
    n-butanol 7029.0
    acetonitrile 6121.67
    DMF 3714.12
    toluene 2046.44
    isobutanol 5286.76
    1,4-dioxane 7315.2
    methyl acetate 4900.68
    THF 9299.56
    2-butanone 7474.03
    n-pentanol 4387.81
    sec-butanol 5969.75
    n-hexane 2277.41
    ethylene glycol 431.26
    NMP 2281.38
    cyclohexane 2023.93
    DMSO 4111.12
    n-butyl acetate 7923.47
    n-octanol 1346.01
    chloroform 8577.92
    n-propyl acetate 5432.74
    acetic acid 3231.17
    dichloromethane 7582.01
    cyclohexanone 7763.82
    propylene glycol 965.8
    isopropyl acetate 5091.85
    DMAc 1913.95
    2-ethoxyethanol 3766.76
    isopentanol 6314.63
    n-heptane 905.95
    ethyl formate 3660.57
    1,2-dichloroethane 6005.92
    n-hexanol 5588.69
    2-methoxyethanol 5729.95
    isobutyl acetate 2695.61
    tetrachloromethane 2189.52
    n-pentyl acetate 2650.25
    transcutol 10226.52
    n-heptanol 1602.17
    ethylbenzene 1274.41
    MIBK 3652.21
    2-propoxyethanol 5600.15
    tert-butanol 9250.21
    MTBE 8788.28
    2-butoxyethanol 2588.73
    propionic acid 3219.08
    o-xylene 1096.7
    formic acid 652.03
    diethyl ether 9270.39
    m-xylene 1397.09
    p-xylene 1591.6
    chlorobenzene 2723.61
    dimethyl carbonate 645.97
    n-octane 250.94
    formamide 1128.91
    cyclopentanone 6073.34
    2-pentanone 7187.15
    anisole 2187.05
    cyclopentyl methyl ether 5607.35
    gamma-butyrolactone 5747.55
    1-methoxy-2-propanol 4512.27
    pyridine 5457.93
    3-pentanone 3539.49
    furfural 3965.3
    n-dodecane 99.65
    diethylene glycol 2112.05
    diisopropyl ether 2678.8
    tert-amyl alcohol 6247.78
    acetylacetone 4185.42
    n-hexadecane 119.67
    acetophenone 1597.08
    methyl propionate 3845.47
    isopentyl acetate 5945.17
    trichloroethylene 8824.49
    n-nonanol 1073.28
    cyclohexanol 5064.03
    benzyl alcohol 1615.03
    2-ethylhexanol 3532.3
    isooctanol 1424.17
    dipropyl ether 5050.65
    1,2-dichlorobenzene 2155.78
    ethyl lactate 1077.51
    propylene carbonate 3097.23
    n-methylformamide 2878.44
    2-pentanol 5024.03
    n-pentane 1282.08
    1-propoxy-2-propanol 5429.15
    1-methoxy-2-propyl acetate 4232.0
    2-(2-methoxypropoxy) propanol 1467.45
    mesitylene 916.98
    ε-caprolactone 5978.29
    p-cymene 876.59
    epichlorohydrin 7183.85
    1,1,1-trichloroethane 6614.27
    2-aminoethanol 1698.5
    morpholine-4-carbaldehyde 3515.61
    sulfolane 4178.97
    2,2,4-trimethylpentane 495.28
    2-methyltetrahydrofuran 9788.7
    n-hexyl acetate 2934.95
    isooctane 487.33
    2-(2-butoxyethoxy)ethanol 2451.62
    sec-butyl acetate 3488.27
    tert-butyl acetate 4671.98
    decalin 654.59
    glycerin 881.5
    diglyme 4723.72
    acrylic acid 1772.7
    isopropyl myristate 819.71
    n-butyric acid 7507.81
    acetyl acetate 2542.44
    di(2-ethylhexyl) phthalate 569.6
    ethyl propionate 3853.37
    nitromethane 4763.3
    1,2-diethoxyethane 6020.89
    benzonitrile 2645.01
    trioctyl phosphate 475.94
    1-bromopropane 5226.16
    gamma-valerolactone 7424.81
    n-decanol 708.4
    triethyl phosphate 896.67
    4-methyl-2-pentanol 2461.78
    propionitrile 5600.41
    vinylene carbonate 2531.93
    1,1,2-trichlorotrifluoroethane 3355.21
    DMS 1260.88
    cumene 801.1
    2-octanol 1206.5
    2-hexanone 5449.04
    octyl acetate 960.23
    limonene 1787.04
    1,2-dimethoxyethane 7192.29
    ethyl orthosilicate 1064.08
    tributyl phosphate 739.46
    diacetone alcohol 3620.56
    N,N-dimethylaniline 1076.6
    acrylonitrile 4529.3
    aniline 2773.69
    1,3-propanediol 3090.46
    bromobenzene 2777.27
    dibromomethane 6028.85
    1,1,2,2-tetrachloroethane 6499.24
    2-methyl-cyclohexyl acetate 2068.27
    tetrabutyl urea 745.43
    diisobutyl methanol 1854.06
    2-phenylethanol 2090.23
    styrene 1709.35
    dioctyl adipate 1030.03
    dimethyl sulfate 744.29
    ethyl butyrate 4605.68
    methyl lactate 1002.2
    butyl lactate 1611.12
    diethyl carbonate 2001.33
    propanediol butyl ether 1681.52
    triethyl orthoformate 2359.38
    p-tert-butyltoluene 836.59
    methyl 4-tert-butylbenzoate 1054.47
    morpholine 9878.24
    tert-butylamine 6866.85
    n-dodecanol 511.31
    dimethoxymethane 3159.33
    ethylene carbonate 2556.03
    cyrene 910.76
    2-ethoxyethyl acetate 2709.08
    2-ethylhexyl acetate 4404.79
    1,2,4-trichlorobenzene 2218.53
    4-methylpyridine 5660.61
    dibutyl ether 3118.82
    2,6-dimethyl-4-heptanol 1854.06
    DEF 5002.47
    dimethyl isosorbide 2298.88
    tetrachloroethylene 4944.64
    eugenol 1063.74
    triacetin 1474.5
    span 80 1478.56
    1,4-butanediol 1012.6
    1,1-dichloroethane 7664.32
    2-methyl-1-pentanol 3721.31
    methyl formate 1670.78
    2-methyl-1-butanol 4974.75
    n-decane 239.91
    butyronitrile 7489.2
    3,7-dimethyl-1-octanol 1759.12
    1-chlorooctane 1026.13
    1-chlorotetradecane 276.49
    n-nonane 277.36
    undecane 144.24
    tert-butylcyclohexane 711.44
    cyclooctane 518.52
    cyclopentanol 4296.4
    tetrahydropyran 11754.3
    tert-amyl methyl ether 4753.49
    2,5,8-trioxanonane 2207.04
    1-hexene 5795.54
    2-isopropoxyethanol 2821.99
    2,2,2-trifluoroethanol 664.54
    methyl butyrate 5885.96

    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