2-Methyloct-2-enal

  • Identifiers

    Molecular formula
    C9H16O

    SMILES
    CCCCCC=C(C)C=O

  • Odor profile

    Fragrance
    Green 88.29%
    Fruity 78.97%
    Fatty 78.9%
    Waxy 62.77%
    Aldehydic 61.72%
    Citrus 61.36%
    Fresh 59.19%
    Melon 54.72%
    Cucumber 49.08%
    Orange 43.6%

     

    Flavor
    Green 57.79%
    Herbal 54.76%
    Citrus 50.31%
    Floral 46.22%
    Fatty 44.64%
    Fruity 44.58%
    Spicy 42.1%
    Fresh 42.04%
    Waxy 39.6%
    Sweet 39.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.62 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point

    • 68.56 ˚C est.

  • Synonyms

    • 2-methyl-2-octen-1-al
    • DTXSID10866134
    • 2-METHYLOCT-2-ENAL
    • (E)-2-methyl-2-octen-1-al
  • Applications

    2-Methyloct-2-enal is primarily used as a fragrance ingredient and odorant in perfumery, providing distinct aldehyde aroma notes; it also serves as an intermediate in the industrial synthesis of fragrance and flavor compounds; in cosmetics and personal care as an aroma component; in household products such as cleaners and air fresheners to impart fragrance; and as a building block for specialty chemicals used in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4865.79
    methanol 5053.47
    isopropanol 4118.9
    water 0.34
    ethyl acetate 5347.39
    n-propanol 4139.73
    acetone 6827.99
    n-butanol 4047.06
    acetonitrile 4389.22
    DMF 3813.13
    toluene 1634.12
    isobutanol 3192.6
    1,4-dioxane 4419.95
    methyl acetate 3407.58
    THF 5035.48
    2-butanone 4988.37
    n-pentanol 2508.19
    sec-butanol 3491.31
    n-hexane 1140.42
    ethylene glycol 389.17
    NMP 2291.35
    cyclohexane 1047.29
    DMSO 3249.6
    n-butyl acetate 4422.39
    n-octanol 793.66
    chloroform 6230.31
    n-propyl acetate 2986.06
    acetic acid 2653.75
    dichloromethane 5739.82
    cyclohexanone 5111.51
    propylene glycol 709.21
    isopropyl acetate 2843.17
    DMAc 1718.94
    2-ethoxyethanol 2039.22
    isopentanol 3557.77
    n-heptane 409.1
    ethyl formate 2243.6
    1,2-dichloroethane 4431.98
    n-hexanol 3047.23
    2-methoxyethanol 3529.15
    isobutyl acetate 1566.81
    tetrachloromethane 1424.59
    n-pentyl acetate 1598.48
    transcutol 7502.19
    n-heptanol 866.57
    ethylbenzene 868.48
    MIBK 2092.99
    2-propoxyethanol 3022.02
    tert-butanol 4936.56
    MTBE 5005.04
    2-butoxyethanol 1402.35
    propionic acid 2361.83
    o-xylene 747.73
    formic acid 551.59
    diethyl ether 5607.99
    m-xylene 984.33
    p-xylene 1012.44
    chlorobenzene 2109.12
    dimethyl carbonate 591.29
    n-octane 130.42
    formamide 896.68
    cyclopentanone 4329.25
    2-pentanone 4628.67
    anisole 1497.43
    cyclopentyl methyl ether 3266.81
    gamma-butyrolactone 3929.03
    1-methoxy-2-propanol 2677.7
    pyridine 4144.01
    3-pentanone 2555.75
    furfural 2751.73
    n-dodecane 64.77
    diethylene glycol 1393.92
    diisopropyl ether 1366.41
    tert-amyl alcohol 3535.02
    acetylacetone 2786.8
    n-hexadecane 77.12
    acetophenone 1126.3
    methyl propionate 2662.3
    isopentyl acetate 3221.0
    trichloroethylene 7137.33
    n-nonanol 660.44
    cyclohexanol 2951.76
    benzyl alcohol 1125.21
    2-ethylhexanol 1799.14
    isooctanol 762.33
    dipropyl ether 2351.9
    1,2-dichlorobenzene 1573.1
    ethyl lactate 634.41
    propylene carbonate 2075.34
    n-methylformamide 2183.35
    2-pentanol 2830.74
    n-pentane 740.75
    1-propoxy-2-propanol 2544.59
    1-methoxy-2-propyl acetate 2293.84
    2-(2-methoxypropoxy) propanol 1036.83
    mesitylene 597.35
    ε-caprolactone 3724.12
    p-cymene 493.59
    epichlorohydrin 4692.65
    1,1,1-trichloroethane 4892.07
    2-aminoethanol 1188.09
    morpholine-4-carbaldehyde 2555.2
    sulfolane 3237.53
    2,2,4-trimethylpentane 258.19
    2-methyltetrahydrofuran 5407.19
    n-hexyl acetate 1860.48
    isooctane 248.49
    2-(2-butoxyethoxy)ethanol 1626.17
    sec-butyl acetate 1868.45
    tert-butyl acetate 2584.61
    decalin 359.01
    glycerin 716.44
    diglyme 2891.19
    acrylic acid 1535.09
    isopropyl myristate 562.56
    n-butyric acid 4499.36
    acetyl acetate 1730.09
    di(2-ethylhexyl) phthalate 409.6
    ethyl propionate 2055.02
    nitromethane 3851.65
    1,2-diethoxyethane 3584.81
    benzonitrile 1962.03
    trioctyl phosphate 316.59
    1-bromopropane 3752.84
    gamma-valerolactone 4464.39
    n-decanol 449.86
    triethyl phosphate 496.4
    4-methyl-2-pentanol 1328.02
    propionitrile 3793.87
    vinylene carbonate 1830.62
    1,1,2-trichlorotrifluoroethane 2615.0
    DMS 1029.37
    cumene 514.89
    2-octanol 647.22
    2-hexanone 3209.86
    octyl acetate 664.31
    limonene 928.6
    1,2-dimethoxyethane 3708.38
    ethyl orthosilicate 564.85
    tributyl phosphate 465.33
    diacetone alcohol 2071.85
    N,N-dimethylaniline 756.88
    acrylonitrile 3447.1
    aniline 1927.22
    1,3-propanediol 1814.3
    bromobenzene 2183.4
    dibromomethane 4482.77
    1,1,2,2-tetrachloroethane 5056.15
    2-methyl-cyclohexyl acetate 1099.0
    tetrabutyl urea 536.33
    diisobutyl methanol 912.83
    2-phenylethanol 1321.24
    styrene 1266.79
    dioctyl adipate 698.56
    dimethyl sulfate 737.79
    ethyl butyrate 2204.77
    methyl lactate 746.27
    butyl lactate 926.8
    diethyl carbonate 1043.15
    propanediol butyl ether 1112.81
    triethyl orthoformate 1132.29
    p-tert-butyltoluene 470.58
    methyl 4-tert-butylbenzoate 753.17
    morpholine 5943.58
    tert-butylamine 3590.95
    n-dodecanol 320.53
    dimethoxymethane 2293.82
    ethylene carbonate 1660.3
    cyrene 664.12
    2-ethoxyethyl acetate 1855.21
    2-ethylhexyl acetate 2303.28
    1,2,4-trichlorobenzene 1661.14
    4-methylpyridine 4225.92
    dibutyl ether 1780.63
    2,6-dimethyl-4-heptanol 912.83
    DEF 3663.89
    dimethyl isosorbide 1555.48
    tetrachloroethylene 3658.07
    eugenol 800.26
    triacetin 1107.32
    span 80 998.68
    1,4-butanediol 616.64
    1,1-dichloroethane 5503.78
    2-methyl-1-pentanol 2092.77
    methyl formate 1359.22
    2-methyl-1-butanol 3029.13
    n-decane 135.34
    butyronitrile 4607.68
    3,7-dimethyl-1-octanol 944.26
    1-chlorooctane 623.07
    1-chlorotetradecane 190.72
    n-nonane 155.45
    undecane 89.61
    tert-butylcyclohexane 362.81
    cyclooctane 275.88
    cyclopentanol 2502.25
    tetrahydropyran 6817.09
    tert-amyl methyl ether 2687.18
    2,5,8-trioxanonane 1567.31
    1-hexene 3308.58
    2-isopropoxyethanol 1614.42
    2,2,2-trifluoroethanol 564.52
    methyl butyrate 3135.71

    Scent© AI

1 of 4
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