3,7-Dimethyl-2-octenal

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  • Identifiers

    CAS number
    57069-90-6

    Molecular formula
    C10H18O

    SMILES
    CC(C)CCCC(=CC=O)C

  • Odor profile

    Fragrance
    Fruity 73.0%
    Citrus 61.28%
    Herbal 60.2%
    Fresh 59.1%
    Sweet 57.95%
    Green 53.05%
    Floral 49.48%
    Aldehydic 49.25%
    Fatty 47.94%
    Lemon 42.7%

     

    Flavor
    Floral 64.1%
    Sweet 55.85%
    Fruity 51.64%
    Citrus 51.21%
    Herbal 49.17%
    Green 46.12%
    Waxy 41.68%
    Spicy 38.21%
    Bitter 37.47%
    Orange 36.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.85 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    211°C

    Flash point

    • 77.87 ˚C est.

  • Synonyms

    • 3,7-dimethyl-2-octenal
    • 57069-90-6
    • 3,7-Dimethyloct-2-enal
    • RQRZJFGMCFXEQO-UHFFFAOYSA-N
    • DTXSID901314180
    • DB-304296
    • NS00054478

  • Applications

    3,7-Dimethyl-2-octenal can serve as a fragrance ingredient and odorant in perfumery, often contributing to green or floral notes; it may be evaluated for use as a flavor component where permitted in the food industry. It is used in cosmetics/personal care formulations as a fragrance ingredient, and may appear in household and cleaning products for scenting. In industrial manufacturing, it can act as an intermediate in the synthesis of specialty chemicals and fragrance-related compounds. It may also be employed as a component or intermediate in polymers/plastics formulations to impart odor or as a reactive aldehyde in chemical syntheses. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2464.03
    methanol 1874.9
    isopropanol 2079.72
    water 0.3
    ethyl acetate 1390.17
    n-propanol 1859.9
    acetone 1703.34
    n-butanol 1886.54
    acetonitrile 1202.23
    DMF 960.83
    toluene 527.52
    isobutanol 1248.61
    1,4-dioxane 2189.84
    methyl acetate 935.75
    THF 2884.49
    2-butanone 1358.38
    n-pentanol 1040.49
    sec-butanol 1390.92
    n-hexane 443.42
    ethylene glycol 170.39
    NMP 716.62
    cyclohexane 545.15
    DMSO 884.6
    n-butyl acetate 1381.08
    n-octanol 389.31
    chloroform 2402.66
    n-propyl acetate 806.19
    acetic acid 923.53
    dichloromethane 1752.06
    cyclohexanone 1773.8
    propylene glycol 395.54
    isopropyl acetate 792.44
    DMAc 508.37
    2-ethoxyethanol 830.9
    isopentanol 1357.32
    n-heptane 277.77
    ethyl formate 666.92
    1,2-dichloroethane 1168.41
    n-hexanol 1686.2
    2-methoxyethanol 1539.05
    isobutyl acetate 485.92
    tetrachloromethane 449.93
    n-pentyl acetate 501.43
    transcutol 2810.65
    n-heptanol 448.3
    ethylbenzene 278.84
    MIBK 662.41
    2-propoxyethanol 1571.96
    tert-butanol 1993.74
    MTBE 1471.92
    2-butoxyethanol 641.91
    propionic acid 767.18
    o-xylene 278.92
    formic acid 197.16
    diethyl ether 1775.25
    m-xylene 382.92
    p-xylene 340.87
    chlorobenzene 613.76
    dimethyl carbonate 148.39
    n-octane 70.15
    formamide 251.96
    cyclopentanone 1456.91
    2-pentanone 1338.43
    anisole 476.93
    cyclopentyl methyl ether 1370.63
    gamma-butyrolactone 1320.0
    1-methoxy-2-propanol 1221.16
    pyridine 1294.62
    3-pentanone 679.89
    furfural 992.87
    n-dodecane 35.39
    diethylene glycol 679.1
    diisopropyl ether 440.22
    tert-amyl alcohol 1219.03
    acetylacetone 820.79
    n-hexadecane 41.25
    acetophenone 372.16
    methyl propionate 690.02
    isopentyl acetate 1109.58
    trichloroethylene 2013.47
    n-nonanol 319.23
    cyclohexanol 1360.32
    benzyl alcohol 418.83
    2-ethylhexanol 843.8
    isooctanol 343.95
    dipropyl ether 1121.69
    1,2-dichlorobenzene 478.55
    ethyl lactate 246.41
    propylene carbonate 763.9
    n-methylformamide 569.55
    2-pentanol 1205.7
    n-pentane 343.46
    1-propoxy-2-propanol 1330.1
    1-methoxy-2-propyl acetate 938.49
    2-(2-methoxypropoxy) propanol 499.96
    mesitylene 239.05
    ε-caprolactone 1279.35
    p-cymene 237.7
    epichlorohydrin 1641.07
    1,1,1-trichloroethane 1318.76
    2-aminoethanol 527.13
    morpholine-4-carbaldehyde 991.75
    sulfolane 1052.14
    2,2,4-trimethylpentane 101.44
    2-methyltetrahydrofuran 2327.24
    n-hexyl acetate 718.8
    isooctane 107.2
    2-(2-butoxyethoxy)ethanol 774.81
    sec-butyl acetate 522.51
    tert-butyl acetate 761.33
    decalin 148.84
    glycerin 353.63
    diglyme 1383.45
    acrylic acid 473.76
    isopropyl myristate 232.03
    n-butyric acid 1577.13
    acetyl acetate 523.89
    di(2-ethylhexyl) phthalate 203.32
    ethyl propionate 575.07
    nitromethane 1000.04
    1,2-diethoxyethane 1151.09
    benzonitrile 640.03
    trioctyl phosphate 151.39
    1-bromopropane 1093.21
    gamma-valerolactone 1800.56
    n-decanol 226.88
    triethyl phosphate 217.17
    4-methyl-2-pentanol 552.88
    propionitrile 1001.94
    vinylene carbonate 614.08
    1,1,2-trichlorotrifluoroethane 898.34
    DMS 336.69
    cumene 187.8
    2-octanol 288.96
    2-hexanone 908.89
    octyl acetate 282.53
    limonene 471.56
    1,2-dimethoxyethane 1442.91
    ethyl orthosilicate 247.27
    tributyl phosphate 206.63
    diacetone alcohol 755.5
    N,N-dimethylaniline 273.15
    acrylonitrile 835.57
    aniline 672.78
    1,3-propanediol 907.69
    bromobenzene 620.47
    dibromomethane 1398.44
    1,1,2,2-tetrachloroethane 1583.26
    2-methyl-cyclohexyl acetate 489.61
    tetrabutyl urea 228.86
    diisobutyl methanol 453.16
    2-phenylethanol 566.66
    styrene 349.56
    dioctyl adipate 312.82
    dimethyl sulfate 176.65
    ethyl butyrate 787.42
    methyl lactate 262.88
    butyl lactate 358.89
    diethyl carbonate 406.44
    propanediol butyl ether 524.0
    triethyl orthoformate 486.28
    p-tert-butyltoluene 242.08
    methyl 4-tert-butylbenzoate 328.17
    morpholine 2884.54
    tert-butylamine 1401.72
    n-dodecanol 167.91
    dimethoxymethane 714.24
    ethylene carbonate 585.38
    cyrene 328.08
    2-ethoxyethyl acetate 594.49
    2-ethylhexyl acetate 824.67
    1,2,4-trichlorobenzene 537.45
    4-methylpyridine 1219.84
    dibutyl ether 669.28
    2,6-dimethyl-4-heptanol 453.16
    DEF 869.29
    dimethyl isosorbide 780.45
    tetrachloroethylene 1043.51
    eugenol 330.44
    triacetin 444.54
    span 80 515.68
    1,4-butanediol 260.68
    1,1-dichloroethane 1528.15
    2-methyl-1-pentanol 708.84
    methyl formate 346.88
    2-methyl-1-butanol 1077.01
    n-decane 75.81
    butyronitrile 1501.83
    3,7-dimethyl-1-octanol 435.29
    1-chlorooctane 283.43
    1-chlorotetradecane 91.26
    n-nonane 83.02
    undecane 49.58
    tert-butylcyclohexane 150.41
    cyclooctane 142.73
    cyclopentanol 1152.41
    tetrahydropyran 3044.34
    tert-amyl methyl ether 811.46
    2,5,8-trioxanonane 742.03
    1-hexene 1130.53
    2-isopropoxyethanol 603.04
    2,2,2-trifluoroethanol 177.29
    methyl butyrate 818.67

    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