2,4-Dimethylhepta-2,2-dienal

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  • Identifiers

    CAS number
    85136-08-9

    Molecular formula
    C9H16O

    SMILES
    CCCC(C)/C=C(\C)/C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 83.03%
    Aldehydic 63.0%
    Fresh 60.3%
    Citrus 58.16%
    Floral 53.01%
    Fruity 51.65%
    Fatty 48.6%
    Melon 41.94%
    Herbal 41.32%
    Sweet 40.34%

     

    Flavor
    Herbal 50.1%
    Spicy 41.32%
    Citrus 38.56%
    Floral 38.16%
    Green 37.47%
    Woody 35.2%
    Sweet 31.58%
    Herb 27.34%
    Fruity 26.95%
    Orange 24.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.74 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    190°C

    Flash point

    • 64.93 ˚C est.

  • Synonyms

    • 2,4-Dimethylhepta-2,2-dienal
    • EINECS 285-731-5
    • 85136-08-9
    • RefChem:246616
    • 285-731-5
    • SCHEMBL1189177
    • 85136-08-9

  • Applications

    2,4-Dimethylhepta-2,2-dienal (CAS 85136-08-9) is an aldehyde primarily employed as a fragrance ingredient and odorant in perfumery, with additional use as a scent component in cosmetics/personal care and in household cleaning products. It is also used as an intermediate in organic synthesis for specialty chemicals and can serve as a building block in polymer or materials development. In some formulations, it may be evaluated for flavor/aroma applications, depending on regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5046.18
    methanol 5474.29
    isopropanol 3703.43
    water 0.47
    ethyl acetate 3787.65
    n-propanol 3563.78
    acetone 5331.42
    n-butanol 3652.9
    acetonitrile 3872.9
    DMF 3326.86
    toluene 1570.83
    isobutanol 2533.92
    1,4-dioxane 3768.58
    methyl acetate 2491.63
    THF 5900.45
    2-butanone 3909.47
    n-pentanol 2088.33
    sec-butanol 2820.34
    n-hexane 798.23
    ethylene glycol 371.59
    NMP 2530.71
    cyclohexane 945.73
    DMSO 3066.72
    n-butyl acetate 4193.93
    n-octanol 837.45
    chloroform 6136.2
    n-propyl acetate 2123.42
    acetic acid 2145.05
    dichloromethane 6320.55
    cyclohexanone 4932.63
    propylene glycol 579.95
    isopropyl acetate 1860.42
    DMAc 1380.87
    2-ethoxyethanol 1603.18
    isopentanol 2825.87
    n-heptane 458.19
    ethyl formate 2174.36
    1,2-dichloroethane 4104.03
    n-hexanol 3414.21
    2-methoxyethanol 3118.46
    isobutyl acetate 1065.62
    tetrachloromethane 1503.36
    n-pentyl acetate 1400.51
    transcutol 5272.42
    n-heptanol 908.34
    ethylbenzene 768.23
    MIBK 1665.6
    2-propoxyethanol 3227.6
    tert-butanol 3494.4
    MTBE 3282.47
    2-butoxyethanol 1253.13
    propionic acid 1818.44
    o-xylene 742.3
    formic acid 537.27
    diethyl ether 3983.43
    m-xylene 1010.12
    p-xylene 865.49
    chlorobenzene 2086.8
    dimethyl carbonate 503.81
    n-octane 125.99
    formamide 784.96
    cyclopentanone 4566.3
    2-pentanone 3802.63
    anisole 1233.11
    cyclopentyl methyl ether 3122.42
    gamma-butyrolactone 3884.28
    1-methoxy-2-propanol 2211.76
    pyridine 3375.08
    3-pentanone 2009.89
    furfural 2918.34
    n-dodecane 62.81
    diethylene glycol 1363.97
    diisopropyl ether 947.38
    tert-amyl alcohol 2666.83
    acetylacetone 2160.68
    n-hexadecane 74.94
    acetophenone 1002.5
    methyl propionate 2070.61
    isopentyl acetate 2890.49
    trichloroethylene 6708.81
    n-nonanol 635.88
    cyclohexanol 2783.46
    benzyl alcohol 978.86
    2-ethylhexanol 1849.57
    isooctanol 686.84
    dipropyl ether 2048.55
    1,2-dichlorobenzene 1521.04
    ethyl lactate 482.75
    propylene carbonate 1952.44
    n-methylformamide 2119.91
    2-pentanol 2345.04
    n-pentane 680.36
    1-propoxy-2-propanol 2518.27
    1-methoxy-2-propyl acetate 1875.99
    2-(2-methoxypropoxy) propanol 859.88
    mesitylene 571.69
    ε-caprolactone 3437.38
    p-cymene 575.22
    epichlorohydrin 4627.52
    1,1,1-trichloroethane 4147.47
    2-aminoethanol 1027.21
    morpholine-4-carbaldehyde 2335.2
    sulfolane 3546.59
    2,2,4-trimethylpentane 223.89
    2-methyltetrahydrofuran 5743.03
    n-hexyl acetate 1762.22
    isooctane 209.45
    2-(2-butoxyethoxy)ethanol 1329.29
    sec-butyl acetate 1215.8
    tert-butyl acetate 1647.44
    decalin 301.27
    glycerin 552.46
    diglyme 2375.28
    acrylic acid 1160.17
    isopropyl myristate 491.16
    n-butyric acid 3452.94
    acetyl acetate 1170.58
    di(2-ethylhexyl) phthalate 412.74
    ethyl propionate 1475.69
    nitromethane 3131.19
    1,2-diethoxyethane 2565.02
    benzonitrile 1876.57
    trioctyl phosphate 321.61
    1-bromopropane 3553.56
    gamma-valerolactone 4570.4
    n-decanol 419.17
    triethyl phosphate 426.56
    4-methyl-2-pentanol 1010.82
    propionitrile 3028.96
    vinylene carbonate 1652.65
    1,1,2-trichlorotrifluoroethane 2219.9
    DMS 797.16
    cumene 456.7
    2-octanol 644.67
    2-hexanone 2462.37
    octyl acetate 619.72
    limonene 1075.38
    1,2-dimethoxyethane 2908.83
    ethyl orthosilicate 497.97
    tributyl phosphate 443.53
    diacetone alcohol 1630.48
    N,N-dimethylaniline 651.3
    acrylonitrile 2792.32
    aniline 1701.07
    1,3-propanediol 1642.46
    bromobenzene 2237.25
    dibromomethane 4859.98
    1,1,2,2-tetrachloroethane 4195.01
    2-methyl-cyclohexyl acetate 959.94
    tetrabutyl urea 509.48
    diisobutyl methanol 824.69
    2-phenylethanol 1276.34
    styrene 998.54
    dioctyl adipate 619.1
    dimethyl sulfate 670.78
    ethyl butyrate 1830.03
    methyl lactate 570.77
    butyl lactate 840.33
    diethyl carbonate 841.85
    propanediol butyl ether 1102.62
    triethyl orthoformate 918.5
    p-tert-butyltoluene 534.43
    methyl 4-tert-butylbenzoate 680.52
    morpholine 5265.37
    tert-butylamine 2551.34
    n-dodecanol 296.02
    dimethoxymethane 2059.87
    ethylene carbonate 1482.03
    cyrene 628.49
    2-ethoxyethyl acetate 1577.67
    2-ethylhexyl acetate 2120.78
    1,2,4-trichlorobenzene 1662.12
    4-methylpyridine 3723.87
    dibutyl ether 1340.83
    2,6-dimethyl-4-heptanol 824.69
    DEF 2820.54
    dimethyl isosorbide 1461.02
    tetrachloroethylene 2946.56
    eugenol 722.95
    triacetin 889.96
    span 80 834.99
    1,4-butanediol 577.49
    1,1-dichloroethane 5077.0
    2-methyl-1-pentanol 1732.45
    methyl formate 1381.23
    2-methyl-1-butanol 2453.11
    n-decane 135.87
    butyronitrile 4196.07
    3,7-dimethyl-1-octanol 878.94
    1-chlorooctane 671.64
    1-chlorotetradecane 186.53
    n-nonane 154.47
    undecane 87.7
    tert-butylcyclohexane 295.39
    cyclooctane 255.59
    cyclopentanol 2673.86
    tetrahydropyran 6026.31
    tert-amyl methyl ether 1938.36
    2,5,8-trioxanonane 1240.85
    1-hexene 2413.28
    2-isopropoxyethanol 1205.74
    2,2,2-trifluoroethanol 454.97
    methyl butyrate 2312.35

    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