1,1-Diethoxy-3,7-dimethyloct-6-ene

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  • Identifiers

    CAS number
    71662-17-4

    Molecular formula
    C14H28O2

    SMILES
    CCOC(CC(C)CCC=C(C)C)OCC

  • Odor profile

    Fragrance
    Green 79.35%
    Floral 66.14%
    Citrus 61.12%
    Lemon 46.38%
    Fresh 44.11%
    Herbal 41.3%
    Rose 39.57%
    Sweet 37.56%
    Fatty 36.54%
    Muguet 35.52%

     

    Flavor
    Green 65.21%
    Fruity 58.36%
    Floral 51.51%
    Waxy 42.95%
    Tropical 39.98%
    Rose 39.37%
    Geranium 31.24%
    Oily 31.06%
    Herbal 29.96%
    Fresh 29.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.71 (weak base)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    238°C

    Flash point

    • 86.53 ˚C est.

  • Synonyms

    • 8,8-Diethoxy-2,6-dimethyloct-2-ene
    • 71662-17-4
    • EINECS 275-782-1
    • 6AJ669CD5E
    • 1,1-Diethoxy-3,7-dimethyloct-6-ene
    • citronellal diethyl acetal
    • UNII-6AJ669CD5E
    • 2-Octene,8,8-diethoxy-2,6-dimethyl-
    • DTXSID20868023
    • 2-Octene, 8,8-diethoxy-2,6-dimethyl-
    • 8,8-DIETHOXY-2,6-DIMETHYL-2-OCTENE
    • SCHEMBL1491220
    • DTXCID60816164
    • HYNXWFKVWMABRM-UHFFFAOYSA-N
    • NS00062954
    • Q27264414
    • 275-782-1

  • Applications

    Chemical name: 1,1-Diethoxy-3,7-dimethyloct-6-ene; CAS: 71662-17-4. It is typically viewed as an organic synthesis intermediate and building block for downstream chemistry; in industry it may be used as a precursor for specialty polymers and resin systems, including coatings and inks, where it can function as a reactive component or as a protected aldehyde equivalent; it can also serve as a solvent or co-solvent in niche manufacturing formulations under controlled conditions; and it is commonly evaluated in research and development as a precursor for further functionalization or as a protected-aldehyde surrogate in multistep syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2877.69
    methanol 1915.43
    isopropanol 2900.02
    water 0.83
    ethyl acetate 2273.16
    n-propanol 2768.1
    acetone 2063.88
    n-butanol 3047.89
    acetonitrile 1559.37
    DMF 1052.02
    toluene 1775.91
    isobutanol 2403.2
    1,4-dioxane 3950.8
    methyl acetate 1351.58
    THF 4498.91
    2-butanone 1904.17
    n-pentanol 2467.17
    sec-butanol 3285.01
    n-hexane 2889.52
    ethylene glycol 166.21
    NMP 1284.3
    cyclohexane 4685.69
    DMSO 1377.86
    n-butyl acetate 2600.12
    n-octanol 1728.76
    chloroform 7952.42
    n-propyl acetate 1731.37
    acetic acid 1537.0
    dichloromethane 5490.97
    cyclohexanone 3690.5
    propylene glycol 475.88
    isopropyl acetate 1682.91
    DMAc 1219.75
    2-ethoxyethanol 1518.12
    isopentanol 2612.54
    n-heptane 2186.31
    ethyl formate 1144.71
    1,2-dichloroethane 2728.5
    n-hexanol 3154.66
    2-methoxyethanol 1735.62
    isobutyl acetate 1251.89
    tetrachloromethane 1758.2
    n-pentyl acetate 1860.03
    transcutol 3861.49
    n-heptanol 1390.85
    ethylbenzene 1191.62
    MIBK 1191.55
    2-propoxyethanol 1998.11
    tert-butanol 3842.91
    MTBE 3500.01
    2-butoxyethanol 1369.72
    propionic acid 1214.73
    o-xylene 1096.39
    formic acid 228.37
    diethyl ether 3652.47
    m-xylene 1116.03
    p-xylene 1638.25
    chlorobenzene 1804.7
    dimethyl carbonate 303.25
    n-octane 680.98
    formamide 273.03
    cyclopentanone 2219.34
    2-pentanone 1887.91
    anisole 1177.19
    cyclopentyl methyl ether 2875.94
    gamma-butyrolactone 1828.55
    1-methoxy-2-propanol 1547.48
    pyridine 2638.16
    3-pentanone 1424.69
    furfural 1476.54
    n-dodecane 345.53
    diethylene glycol 757.24
    diisopropyl ether 1403.31
    tert-amyl alcohol 3374.49
    acetylacetone 1333.73
    n-hexadecane 398.75
    acetophenone 1010.77
    methyl propionate 1048.34
    isopentyl acetate 2094.3
    trichloroethylene 4145.92
    n-nonanol 1460.7
    cyclohexanol 4084.8
    benzyl alcohol 1029.42
    2-ethylhexanol 2191.93
    isooctanol 1137.32
    dipropyl ether 2854.22
    1,2-dichlorobenzene 1450.73
    ethyl lactate 600.43
    propylene carbonate 1361.19
    n-methylformamide 518.75
    2-pentanol 2610.3
    n-pentane 1984.53
    1-propoxy-2-propanol 1994.58
    1-methoxy-2-propyl acetate 1298.94
    2-(2-methoxypropoxy) propanol 1001.42
    mesitylene 767.22
    ε-caprolactone 2779.02
    p-cymene 871.53
    epichlorohydrin 2422.98
    1,1,1-trichloroethane 3966.1
    2-aminoethanol 572.31
    morpholine-4-carbaldehyde 1439.6
    sulfolane 1929.56
    2,2,4-trimethylpentane 658.49
    2-methyltetrahydrofuran 4503.93
    n-hexyl acetate 2536.68
    isooctane 468.0
    2-(2-butoxyethoxy)ethanol 1443.74
    sec-butyl acetate 1331.38
    tert-butyl acetate 1579.38
    decalin 1009.78
    glycerin 416.54
    diglyme 2435.87
    acrylic acid 686.35
    isopropyl myristate 943.8
    n-butyric acid 2712.93
    acetyl acetate 1248.68
    di(2-ethylhexyl) phthalate 636.14
    ethyl propionate 1295.35
    nitromethane 1297.62
    1,2-diethoxyethane 2324.19
    benzonitrile 1513.6
    trioctyl phosphate 557.57
    1-bromopropane 3380.54
    gamma-valerolactone 2385.88
    n-decanol 986.35
    triethyl phosphate 632.24
    4-methyl-2-pentanol 1220.08
    propionitrile 1681.82
    vinylene carbonate 1157.38
    1,1,2-trichlorotrifluoroethane 1645.15
    DMS 886.67
    cumene 793.34
    2-octanol 1333.58
    2-hexanone 1800.74
    octyl acetate 1163.62
    limonene 1595.79
    1,2-dimethoxyethane 2799.04
    ethyl orthosilicate 723.19
    tributyl phosphate 681.57
    diacetone alcohol 1196.09
    N,N-dimethylaniline 839.19
    acrylonitrile 1145.14
    aniline 1388.56
    1,3-propanediol 1117.98
    bromobenzene 2113.88
    dibromomethane 4800.96
    1,1,2,2-tetrachloroethane 4358.93
    2-methyl-cyclohexyl acetate 1271.1
    tetrabutyl urea 797.73
    diisobutyl methanol 1057.69
    2-phenylethanol 1120.71
    styrene 1379.16
    dioctyl adipate 1125.55
    dimethyl sulfate 389.46
    ethyl butyrate 1773.9
    methyl lactate 447.57
    butyl lactate 1001.18
    diethyl carbonate 987.49
    propanediol butyl ether 1189.25
    triethyl orthoformate 1260.04
    p-tert-butyltoluene 821.14
    methyl 4-tert-butylbenzoate 962.01
    morpholine 4282.53
    tert-butylamine 3295.89
    n-dodecanol 754.95
    dimethoxymethane 1018.98
    ethylene carbonate 1218.0
    cyrene 750.15
    2-ethoxyethyl acetate 1416.92
    2-ethylhexyl acetate 1842.81
    1,2,4-trichlorobenzene 1599.09
    4-methylpyridine 2722.9
    dibutyl ether 2808.58
    2,6-dimethyl-4-heptanol 1057.69
    DEF 1593.72
    dimethyl isosorbide 1410.8
    tetrachloroethylene 2790.89
    eugenol 782.26
    triacetin 1407.89
    span 80 1308.54
    1,4-butanediol 541.98
    1,1-dichloroethane 3729.44
    2-methyl-1-pentanol 2033.81
    methyl formate 389.8
    2-methyl-1-butanol 2478.95
    n-decane 725.4
    butyronitrile 2639.97
    3,7-dimethyl-1-octanol 1442.67
    1-chlorooctane 1527.63
    1-chlorotetradecane 573.05
    n-nonane 875.46
    undecane 465.66
    tert-butylcyclohexane 877.2
    cyclooctane 1304.34
    cyclopentanol 2650.37
    tetrahydropyran 6756.63
    tert-amyl methyl ether 2277.61
    2,5,8-trioxanonane 1471.04
    1-hexene 3772.4
    2-isopropoxyethanol 1280.9
    2,2,2-trifluoroethanol 355.61
    methyl butyrate 1801.24

    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