3-Ethyl-3,7-dimethyl-6-octenal

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  • Identifiers

    CAS number
    34687-43-9

    Molecular formula
    C12H22O

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

  • Odor profile

    Fragrance
    Floral 75.92%
    Citrus 71.72%
    Fresh 55.22%
    Green 54.57%
    Aldehydic 54.06%
    Waxy 53.69%
    Rose 51.01%
    Sweet 49.47%
    Lemon 45.63%
    Herbal 43.82%

     

    Flavor
    Floral 69.25%
    Citrus 58.23%
    Green 55.51%
    Waxy 48.13%
    Fruity 45.83%
    Sweet 45.01%
    Rose 43.99%
    Woody 40.35%
    Bitter 37.95%
    Fresh 37.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.46 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 101.07 ˚C est.

  • Synonyms

    • 3-Ethyl-3,7-dimethyloct-6-enal
    • 3-Ethyl-3,7-dimethyl-6-octenal
    • 34687-43-9
    • 6-Octenal, 3-ethyl-3,7-dimethyl-
    • EINECS 252-150-3
    • UNII-5P02GZZ92L
    • 5P02GZZ92L
    • DTXSID00885596
    • GVQWHUAOSOFGJF-UHFFFAOYSA-N
    • DTXCID801024962
    • AKOS006326429
    • NS00012397
    • Q27262664
    • 252-150-3

  • Applications

    3-Ethyl-3,7-dimethyl-6-octenal, CAS 34687-43-9, is an aldehyde primarily used as an odorant ingredient in perfumery and cosmetics, and is also regarded as a synthetic intermediate for the production of more complex fragrance compounds; it may be considered for flavor/aroma applications in certain food formulations and can appear in household cleaning products as a fragrance component; in industrial manufacturing, it can serve as a building block for the synthesis of additional fragrance materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1337.54
    methanol 1064.74
    isopropanol 1063.43
    water 0.9
    ethyl acetate 785.72
    n-propanol 975.66
    acetone 541.96
    n-butanol 1088.44
    acetonitrile 535.74
    DMF 465.72
    toluene 477.17
    isobutanol 633.42
    1,4-dioxane 1742.61
    methyl acetate 545.75
    THF 1518.48
    2-butanone 612.56
    n-pentanol 581.92
    sec-butanol 799.56
    n-hexane 255.12
    ethylene glycol 105.74
    NMP 362.7
    cyclohexane 417.02
    DMSO 323.64
    n-butyl acetate 743.95
    n-octanol 316.98
    chloroform 1419.1
    n-propyl acetate 424.89
    acetic acid 457.51
    dichloromethane 845.66
    cyclohexanone 825.68
    propylene glycol 263.86
    isopropyl acetate 479.03
    DMAc 407.6
    2-ethoxyethanol 569.44
    isopentanol 764.02
    n-heptane 208.88
    ethyl formate 350.8
    1,2-dichloroethane 560.21
    n-hexanol 1055.89
    2-methoxyethanol 936.85
    isobutyl acetate 312.65
    tetrachloromethane 279.95
    n-pentyl acetate 331.31
    transcutol 2044.79
    n-heptanol 354.74
    ethylbenzene 250.7
    MIBK 363.56
    2-propoxyethanol 1029.8
    tert-butanol 1256.38
    MTBE 958.09
    2-butoxyethanol 480.85
    propionic acid 376.6
    o-xylene 262.03
    formic acid 135.76
    diethyl ether 1034.34
    m-xylene 323.99
    p-xylene 320.95
    chlorobenzene 423.1
    dimethyl carbonate 109.28
    n-octane 59.07
    formamide 158.34
    cyclopentanone 574.36
    2-pentanone 558.96
    anisole 421.53
    cyclopentyl methyl ether 715.44
    gamma-butyrolactone 526.1
    1-methoxy-2-propanol 783.85
    pyridine 839.74
    3-pentanone 365.49
    furfural 537.92
    n-dodecane 36.28
    diethylene glycol 462.98
    diisopropyl ether 318.68
    tert-amyl alcohol 814.81
    acetylacetone 408.61
    n-hexadecane 41.2
    acetophenone 302.33
    methyl propionate 398.43
    isopentyl acetate 646.14
    trichloroethylene 944.16
    n-nonanol 282.62
    cyclohexanol 771.42
    benzyl alcohol 318.09
    2-ethylhexanol 557.58
    isooctanol 273.53
    dipropyl ether 674.16
    1,2-dichlorobenzene 357.08
    ethyl lactate 179.15
    propylene carbonate 388.38
    n-methylformamide 266.4
    2-pentanol 680.35
    n-pentane 223.52
    1-propoxy-2-propanol 835.04
    1-methoxy-2-propyl acetate 611.38
    2-(2-methoxypropoxy) propanol 451.75
    mesitylene 213.39
    ε-caprolactone 726.17
    p-cymene 206.9
    epichlorohydrin 785.01
    1,1,1-trichloroethane 746.56
    2-aminoethanol 335.41
    morpholine-4-carbaldehyde 700.59
    sulfolane 409.58
    2,2,4-trimethylpentane 92.53
    2-methyltetrahydrofuran 1239.1
    n-hexyl acetate 494.69
    isooctane 88.77
    2-(2-butoxyethoxy)ethanol 652.25
    sec-butyl acetate 348.24
    tert-butyl acetate 506.22
    decalin 142.64
    glycerin 256.19
    diglyme 1060.5
    acrylic acid 230.92
    isopropyl myristate 201.93
    n-butyric acid 749.82
    acetyl acetate 360.37
    di(2-ethylhexyl) phthalate 177.63
    ethyl propionate 349.06
    nitromethane 435.54
    1,2-diethoxyethane 815.7
    benzonitrile 433.41
    trioctyl phosphate 124.28
    1-bromopropane 571.79
    gamma-valerolactone 940.57
    n-decanol 202.38
    triethyl phosphate 188.36
    4-methyl-2-pentanol 381.81
    propionitrile 540.24
    vinylene carbonate 370.77
    1,1,2-trichlorotrifluoroethane 469.77
    DMS 266.59
    cumene 183.8
    2-octanol 226.3
    2-hexanone 430.0
    octyl acetate 232.19
    limonene 348.3
    1,2-dimethoxyethane 959.86
    ethyl orthosilicate 213.74
    tributyl phosphate 159.06
    diacetone alcohol 485.43
    N,N-dimethylaniline 262.4
    acrylonitrile 438.68
    aniline 505.06
    1,3-propanediol 552.58
    bromobenzene 437.2
    dibromomethane 702.16
    1,1,2,2-tetrachloroethane 915.4
    2-methyl-cyclohexyl acetate 382.93
    tetrabutyl urea 182.04
    diisobutyl methanol 313.35
    2-phenylethanol 451.12
    styrene 297.33
    dioctyl adipate 258.76
    dimethyl sulfate 115.7
    ethyl butyrate 503.46
    methyl lactate 174.03
    butyl lactate 255.77
    diethyl carbonate 296.21
    propanediol butyl ether 410.55
    triethyl orthoformate 378.12
    p-tert-butyltoluene 218.58
    methyl 4-tert-butylbenzoate 301.64
    morpholine 2026.93
    tert-butylamine 944.75
    n-dodecanol 149.32
    dimethoxymethane 474.06
    ethylene carbonate 361.32
    cyrene 268.64
    2-ethoxyethyl acetate 426.28
    2-ethylhexyl acetate 516.53
    1,2,4-trichlorobenzene 402.83
    4-methylpyridine 784.33
    dibutyl ether 459.72
    2,6-dimethyl-4-heptanol 313.35
    DEF 491.45
    dimethyl isosorbide 632.89
    tetrachloroethylene 607.43
    eugenol 287.18
    triacetin 355.25
    span 80 432.22
    1,4-butanediol 167.86
    1,1-dichloroethane 718.85
    2-methyl-1-pentanol 438.96
    methyl formate 163.42
    2-methyl-1-butanol 619.28
    n-decane 69.9
    butyronitrile 773.11
    3,7-dimethyl-1-octanol 327.27
    1-chlorooctane 213.7
    1-chlorotetradecane 84.01
    n-nonane 71.15
    undecane 47.73
    tert-butylcyclohexane 133.42
    cyclooctane 125.02
    cyclopentanol 535.2
    tetrahydropyran 1890.67
    tert-amyl methyl ether 577.65
    2,5,8-trioxanonane 654.28
    1-hexene 568.17
    2-isopropoxyethanol 426.79
    2,2,2-trifluoroethanol 110.25
    methyl butyrate 443.62

    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