1-Ethoxy-3,7-dimethylocta-2,6-diene

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  • Identifiers

    CAS number
    22882-89-9

    Molecular formula
    C12H22O

    SMILES
    CCOCC=C(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Floral 85.71%
    Rose 69.87%
    Citrus 67.3%
    Fruity 64.55%
    Green 58.37%
    Sweet 55.51%
    Fresh 54.85%
    Waxy 53.67%
    Lemon 45.28%
    Tropical 40.34%

     

    Flavor
    Floral 66.69%
    Rose 66.0%
    Green 64.99%
    Fruity 59.57%
    Waxy 50.79%
    Sweet 49.03%
    Bitter 48.21%
    Citrus 44.52%
    Geranium 41.27%
    Fresh 40.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.7 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 74.09 ˚C est.

  • Synonyms

    • 1-Ethoxy-3,7-dimethylocta-2,6-diene
    • 2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
    • 2,6-OCTADIENE, 1-ETHOXY-3,7-DIMETHYL-
    • 22882-89-9
    • neryl ethyl ether
    • DTXSID1068223
    • NS00088920
    • 254-867-7

  • Applications

    For the chemical 1-Ethoxy-3,7-dimethylocta-2,6-diene (CAS 22882-89-9), the typical applications include use as an intermediate in fragrance chemistry to enable the synthesis of aroma compounds or as a precursor for fragrance fixatives. It may be considered for cosmetics and personal care formulations as a fragrance ingredient or odor modifier. In industrial manufacturing, it can function as a building block for specialty polymers and resins, and in coatings and inks it may act as a reactive intermediate or monomer for certain coating systems. Depending on regulatory status, it could be evaluated for flavor/aroma applications, though actual use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1721.96
    methanol 1027.35
    isopropanol 1427.08
    water 0.58
    ethyl acetate 1247.21
    n-propanol 1378.36
    acetone 782.45
    n-butanol 1598.63
    acetonitrile 677.06
    DMF 363.54
    toluene 854.22
    isobutanol 952.8
    1,4-dioxane 2901.94
    methyl acetate 738.0
    THF 2474.96
    2-butanone 833.42
    n-pentanol 1123.55
    sec-butanol 1415.92
    n-hexane 1197.57
    ethylene glycol 134.53
    NMP 377.51
    cyclohexane 1907.94
    DMSO 586.61
    n-butyl acetate 1209.06
    n-octanol 630.61
    chloroform 3314.42
    n-propyl acetate 723.54
    acetic acid 693.66
    dichloromethane 2070.83
    cyclohexanone 1160.93
    propylene glycol 395.45
    isopropyl acetate 730.76
    DMAc 497.19
    2-ethoxyethanol 1050.94
    isopentanol 1165.02
    n-heptane 1174.93
    ethyl formate 459.25
    1,2-dichloroethane 1137.08
    n-hexanol 1858.36
    2-methoxyethanol 1172.88
    isobutyl acetate 477.51
    tetrachloromethane 696.24
    n-pentyl acetate 591.17
    transcutol 3071.75
    n-heptanol 644.4
    ethylbenzene 492.66
    MIBK 470.39
    2-propoxyethanol 1484.75
    tert-butanol 1787.86
    MTBE 1725.06
    2-butoxyethanol 749.99
    propionic acid 558.14
    o-xylene 499.32
    formic acid 123.19
    diethyl ether 2345.66
    m-xylene 506.0
    p-xylene 573.51
    chlorobenzene 665.43
    dimethyl carbonate 126.8
    n-octane 276.49
    formamide 144.92
    cyclopentanone 739.39
    2-pentanone 783.98
    anisole 627.32
    cyclopentyl methyl ether 1370.23
    gamma-butyrolactone 648.92
    1-methoxy-2-propanol 964.34
    pyridine 1409.67
    3-pentanone 612.01
    furfural 616.83
    n-dodecane 133.02
    diethylene glycol 609.74
    diisopropyl ether 664.96
    tert-amyl alcohol 1462.45
    acetylacetone 562.97
    n-hexadecane 150.7
    acetophenone 442.38
    methyl propionate 552.15
    isopentyl acetate 949.91
    trichloroethylene 1719.41
    n-nonanol 581.41
    cyclohexanol 1484.62
    benzyl alcohol 472.17
    2-ethylhexanol 1173.72
    isooctanol 476.97
    dipropyl ether 1875.43
    1,2-dichlorobenzene 512.6
    ethyl lactate 278.93
    propylene carbonate 475.79
    n-methylformamide 205.34
    2-pentanol 1227.91
    n-pentane 1039.85
    1-propoxy-2-propanol 1325.96
    1-methoxy-2-propyl acetate 794.22
    2-(2-methoxypropoxy) propanol 642.93
    mesitylene 318.77
    ε-caprolactone 1080.48
    p-cymene 396.19
    epichlorohydrin 1128.57
    1,1,1-trichloroethane 1491.84
    2-aminoethanol 426.28
    morpholine-4-carbaldehyde 764.41
    sulfolane 589.48
    2,2,4-trimethylpentane 275.64
    2-methyltetrahydrofuran 2280.71
    n-hexyl acetate 884.97
    isooctane 200.38
    2-(2-butoxyethoxy)ethanol 966.78
    sec-butyl acetate 582.52
    tert-butyl acetate 703.75
    decalin 408.42
    glycerin 328.26
    diglyme 1646.56
    acrylic acid 315.8
    isopropyl myristate 355.46
    n-butyric acid 1096.91
    acetyl acetate 567.58
    di(2-ethylhexyl) phthalate 266.66
    ethyl propionate 607.56
    nitromethane 541.66
    1,2-diethoxyethane 1573.75
    benzonitrile 561.86
    trioctyl phosphate 197.49
    1-bromopropane 1490.5
    gamma-valerolactone 1008.18
    n-decanol 422.06
    triethyl phosphate 321.82
    4-methyl-2-pentanol 551.44
    propionitrile 763.58
    vinylene carbonate 417.65
    1,1,2-trichlorotrifluoroethane 768.89
    DMS 395.49
    cumene 319.55
    2-octanol 430.48
    2-hexanone 710.07
    octyl acetate 436.22
    limonene 731.02
    1,2-dimethoxyethane 1599.2
    ethyl orthosilicate 389.15
    tributyl phosphate 253.63
    diacetone alcohol 604.56
    N,N-dimethylaniline 415.52
    acrylonitrile 502.95
    aniline 733.11
    1,3-propanediol 691.07
    bromobenzene 754.58
    dibromomethane 1792.6
    1,1,2,2-tetrachloroethane 1741.5
    2-methyl-cyclohexyl acetate 612.87
    tetrabutyl urea 298.59
    diisobutyl methanol 557.23
    2-phenylethanol 605.17
    styrene 560.38
    dioctyl adipate 447.81
    dimethyl sulfate 141.27
    ethyl butyrate 883.09
    methyl lactate 221.1
    butyl lactate 378.69
    diethyl carbonate 519.84
    propanediol butyl ether 564.76
    triethyl orthoformate 703.56
    p-tert-butyltoluene 387.63
    methyl 4-tert-butylbenzoate 416.06
    morpholine 3102.5
    tert-butylamine 1566.67
    n-dodecanol 331.65
    dimethoxymethane 545.04
    ethylene carbonate 434.01
    cyrene 362.51
    2-ethoxyethyl acetate 657.06
    2-ethylhexyl acetate 844.78
    1,2,4-trichlorobenzene 605.97
    4-methylpyridine 1149.69
    dibutyl ether 1260.21
    2,6-dimethyl-4-heptanol 557.23
    DEF 714.12
    dimethyl isosorbide 799.84
    tetrachloroethylene 1131.85
    eugenol 380.06
    triacetin 620.49
    span 80 731.42
    1,4-butanediol 281.77
    1,1-dichloroethane 1478.69
    2-methyl-1-pentanol 847.77
    methyl formate 137.43
    2-methyl-1-butanol 1087.26
    n-decane 273.75
    butyronitrile 1083.42
    3,7-dimethyl-1-octanol 604.03
    1-chlorooctane 550.63
    1-chlorotetradecane 219.84
    n-nonane 316.37
    undecane 178.61
    tert-butylcyclohexane 339.61
    cyclooctane 580.75
    cyclopentanol 923.32
    tetrahydropyran 3816.23
    tert-amyl methyl ether 1172.81
    2,5,8-trioxanonane 1008.54
    1-hexene 1767.55
    2-isopropoxyethanol 779.6
    2,2,2-trifluoroethanol 136.11
    methyl butyrate 733.6

    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