2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-

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  • Identifiers

    CAS number
    68555-64-6

    Molecular formula
    C14H26O2

    SMILES
    CCOC(C)OC/C=C(/C)\CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.41%
    Citrus 63.66%
    Sweet 61.59%
    Green 60.67%
    Lemon 53.17%
    Fresh 52.43%
    Rose 45.68%
    Waxy 41.09%
    Tropical 37.15%
    Herbal 35.37%

     

    Flavor
    Green 69.36%
    Fruity 59.12%
    Floral 53.44%
    Rose 50.93%
    Waxy 42.59%
    Bitter 37.29%
    Sweet 37.08%
    Tropical 36.83%
    Geranium 34.04%
    Fresh 32.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.78 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 93.4 ˚C est.

  • Synonyms

    • Nerol ethyl acetal
    • EINECS 271-441-6
    • 2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-
    • 2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (Z)-
    • DTXSID50887464
    • RefChem:445851
    • DTXCID201026758
    • 68555-64-6
    • (Z)-1-(1-Ethoxyethoxy)-3,7-dimethylocta-2,6-diene
    • (2Z)-1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene
    • SCHEMBL29827558
    • XJMAAOIVFHDJAK-RAXLEYEMSA-N
    • NS00092039
    • 68555-64-6

  • Applications

    2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)- (CAS 68555-64-6) is primarily used as a specialty chemical intermediate. It provides a reactive diene building block for the synthesis of functionalized polymers and other organic intermediates, often enabling protected-diene strategies in organic synthesis. In industry it can be used in the formulation of specialty polymers and coatings, including UV-curable resins, where the diene functionality supports crosslinking. It may be evaluated as a fragrance intermediate in fragrance chemistry and as a reactive component in adhesives. The compound is used within broader organic synthesis routes, with application and handling governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1367.95
    methanol 898.04
    isopropanol 1039.24
    water 0.69
    ethyl acetate 1313.21
    n-propanol 1100.95
    acetone 756.52
    n-butanol 1312.27
    acetonitrile 636.86
    DMF 373.88
    toluene 933.71
    isobutanol 834.38
    1,4-dioxane 2468.91
    methyl acetate 757.74
    THF 2346.87
    2-butanone 854.67
    n-pentanol 1065.67
    sec-butanol 1250.19
    n-hexane 1038.64
    ethylene glycol 82.33
    NMP 541.89
    cyclohexane 1707.3
    DMSO 632.75
    n-butyl acetate 1077.35
    n-octanol 554.79
    chloroform 3741.93
    n-propyl acetate 821.24
    acetic acid 703.05
    dichloromethane 2722.76
    cyclohexanone 1361.1
    propylene glycol 219.27
    isopropyl acetate 889.87
    DMAc 713.6
    2-ethoxyethanol 939.32
    isopentanol 1052.36
    n-heptane 700.47
    ethyl formate 390.08
    1,2-dichloroethane 1385.74
    n-hexanol 1309.12
    2-methoxyethanol 947.26
    isobutyl acetate 554.36
    tetrachloromethane 707.12
    n-pentyl acetate 693.51
    transcutol 2894.71
    n-heptanol 501.8
    ethylbenzene 542.53
    MIBK 530.5
    2-propoxyethanol 1126.06
    tert-butanol 1508.01
    MTBE 1808.71
    2-butoxyethanol 628.86
    propionic acid 530.92
    o-xylene 552.2
    formic acid 131.75
    diethyl ether 2330.01
    m-xylene 565.86
    p-xylene 678.66
    chlorobenzene 734.08
    dimethyl carbonate 151.67
    n-octane 189.63
    formamide 162.36
    cyclopentanone 804.93
    2-pentanone 836.04
    anisole 660.99
    cyclopentyl methyl ether 1553.31
    gamma-butyrolactone 734.19
    1-methoxy-2-propanol 774.23
    pyridine 1230.98
    3-pentanone 752.94
    furfural 629.78
    n-dodecane 105.34
    diethylene glycol 434.44
    diisopropyl ether 735.78
    tert-amyl alcohol 1467.46
    acetylacetone 676.33
    n-hexadecane 120.64
    acetophenone 515.12
    methyl propionate 613.79
    isopentyl acetate 955.76
    trichloroethylene 2041.95
    n-nonanol 525.78
    cyclohexanol 1517.83
    benzyl alcohol 470.31
    2-ethylhexanol 886.12
    isooctanol 399.26
    dipropyl ether 1421.73
    1,2-dichlorobenzene 638.43
    ethyl lactate 286.52
    propylene carbonate 532.03
    n-methylformamide 188.58
    2-pentanol 1060.81
    n-pentane 735.82
    1-propoxy-2-propanol 992.0
    1-methoxy-2-propyl acetate 767.06
    2-(2-methoxypropoxy) propanol 630.84
    mesitylene 351.05
    ε-caprolactone 1233.11
    p-cymene 339.75
    epichlorohydrin 1209.62
    1,1,1-trichloroethane 1692.53
    2-aminoethanol 284.9
    morpholine-4-carbaldehyde 823.23
    sulfolane 752.89
    2,2,4-trimethylpentane 283.65
    2-methyltetrahydrofuran 2448.91
    n-hexyl acetate 1035.23
    isooctane 167.51
    2-(2-butoxyethoxy)ethanol 866.7
    sec-butyl acetate 693.35
    tert-butyl acetate 900.69
    decalin 435.8
    glycerin 222.58
    diglyme 1488.86
    acrylic acid 308.53
    isopropyl myristate 376.91
    n-butyric acid 1045.31
    acetyl acetate 747.05
    di(2-ethylhexyl) phthalate 285.24
    ethyl propionate 715.7
    nitromethane 609.92
    1,2-diethoxyethane 1580.3
    benzonitrile 534.3
    trioctyl phosphate 207.28
    1-bromopropane 1641.32
    gamma-valerolactone 1029.57
    n-decanol 373.01
    triethyl phosphate 365.38
    4-methyl-2-pentanol 534.01
    propionitrile 634.65
    vinylene carbonate 460.15
    1,1,2-trichlorotrifluoroethane 810.98
    DMS 476.11
    cumene 341.42
    2-octanol 396.68
    2-hexanone 772.27
    octyl acetate 452.54
    limonene 647.58
    1,2-dimethoxyethane 1499.99
    ethyl orthosilicate 439.93
    tributyl phosphate 279.58
    diacetone alcohol 628.86
    N,N-dimethylaniline 468.91
    acrylonitrile 442.97
    aniline 698.41
    1,3-propanediol 509.3
    bromobenzene 886.39
    dibromomethane 2260.05
    1,1,2,2-tetrachloroethane 2027.71
    2-methyl-cyclohexyl acetate 677.31
    tetrabutyl urea 330.68
    diisobutyl methanol 416.07
    2-phenylethanol 530.35
    styrene 609.74
    dioctyl adipate 493.74
    dimethyl sulfate 196.55
    ethyl butyrate 883.96
    methyl lactate 208.02
    butyl lactate 395.75
    diethyl carbonate 535.66
    propanediol butyl ether 495.12
    triethyl orthoformate 689.79
    p-tert-butyltoluene 324.55
    methyl 4-tert-butylbenzoate 487.9
    morpholine 2605.91
    tert-butylamine 1296.41
    n-dodecanol 292.76
    dimethoxymethane 553.73
    ethylene carbonate 487.54
    cyrene 412.59
    2-ethoxyethyl acetate 732.39
    2-ethylhexyl acetate 872.54
    1,2,4-trichlorobenzene 766.55
    4-methylpyridine 1130.01
    dibutyl ether 1183.08
    2,6-dimethyl-4-heptanol 416.07
    DEF 831.89
    dimethyl isosorbide 848.35
    tetrachloroethylene 1359.99
    eugenol 390.97
    triacetin 744.97
    span 80 660.06
    1,4-butanediol 231.69
    1,1-dichloroethane 1678.04
    2-methyl-1-pentanol 922.46
    methyl formate 138.13
    2-methyl-1-butanol 1026.88
    n-decane 217.85
    butyronitrile 866.51
    3,7-dimethyl-1-octanol 550.02
    1-chlorooctane 559.67
    1-chlorotetradecane 206.9
    n-nonane 241.87
    undecane 138.79
    tert-butylcyclohexane 363.19
    cyclooctane 499.67
    cyclopentanol 881.14
    tetrahydropyran 3512.72
    tert-amyl methyl ether 1381.4
    2,5,8-trioxanonane 958.4
    1-hexene 1593.8
    2-isopropoxyethanol 726.07
    2,2,2-trifluoroethanol 170.27
    methyl butyrate 815.91

    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