3-Heptene, 7,7-diethoxy-, (3E)-

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  • Identifiers

    CAS number
    18492-66-5

    Molecular formula
    C11H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Green 93.55%
    Fruity 68.92%
    Apple 62.79%
    Vegetable 59.83%
    Fatty 54.29%
    Herbal 53.97%
    Fresh 51.65%
    Leafy 51.2%
    Melon 50.2%
    Tropical 49.25%

     

    Flavor
    Fruity 47.27%
    Green 46.96%
    Tropical 35.69%
    Fresh 29.0%
    Vegetable 25.92%
    Melon 24.83%
    Apple 23.47%
    Waxy 23.12%
    Ethereal 22.34%
    Pineapple 21.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.31 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 73.42 ˚C est.

  • Synonyms

    • 18492-66-5
    • 3-Heptene, 7,7-diethoxy-, (3E)-
    • 4-Heptenal diethyl acetal, (4E)-
    • FEMA No. 3349
    • (E)-4-Heptenal diethyl acetal
    • (E)-7,7-diethoxyhept-3-ene
    • UNII-T06GQL0RJ0
    • T06GQL0RJ0
    • 4LV788W95H
    • 4-Heptenal diethyl acetal [FIFH]
    • 1192738-48-9
    • UNII-4LV788W95H
    • 1,1-Diethoxy-trans-4-heptene
    • 4-Heptenal, diethyl acetal, (E)-
    • (3E)-7,7-DIETHOXYHEPT-3-ENE
    • SCHEMBL21598313
    • (4E)-4-heptenal diethyl acetal
    • DTXSID60885052
    • (3E)-7,7-Diethoxy-3-heptene
    • BOALWZNGHWYCRG-BQYQJAHWSA-N
    • FEMA NO. 3349, E-
    • 4-HEPTENAL DIETHYL ACETAL, TRANS-
    • 3-HEPTENE, 7,7-DIETHOXY-, (E)-
    • Q27260034
    • 18492-66-5

  • Applications

    3-Heptene, 7,7-diethoxy-, (3E)- (CAS 18492-66-5) is primarily encountered as an intermediate in organic synthesis, where its diethoxy acetal functionality provides a protecting group for carbonyls and a versatile building block for subsequent transformations. In fragrance and flavor chemistry, it may be evaluated as a precursor to odorants or as a route to specialty aroma compounds. In polymer and coatings development, it can serve as a reactive intermediate or starting point for derivative synthesis aimed at accessing specialty polymers or crosslinkable materials. It may also appear in niche acetal chemistry research and process development for protected-aldehyde derivatives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2444.95
    methanol 2133.84
    isopropanol 2329.17
    water 0.58
    ethyl acetate 3882.13
    n-propanol 2606.22
    acetone 4200.16
    n-butanol 3011.69
    acetonitrile 3461.08
    DMF 2872.57
    toluene 3072.3
    isobutanol 2508.37
    1,4-dioxane 4744.5
    methyl acetate 2804.08
    THF 5403.95
    2-butanone 3767.32
    n-pentanol 2215.3
    sec-butanol 3179.72
    n-hexane 4730.7
    ethylene glycol 309.64
    NMP 3856.38
    cyclohexane 6196.55
    DMSO 4386.76
    n-butyl acetate 4231.5
    n-octanol 1663.41
    chloroform 12339.06
    n-propyl acetate 3010.6
    acetic acid 2586.18
    dichloromethane 11546.98
    cyclohexanone 6541.92
    propylene glycol 521.95
    isopropyl acetate 2615.82
    DMAc 2960.28
    2-ethoxyethanol 1842.72
    isopentanol 2924.69
    n-heptane 2475.85
    ethyl formate 1755.74
    1,2-dichloroethane 7020.33
    n-hexanol 3008.56
    2-methoxyethanol 2337.36
    isobutyl acetate 1833.54
    tetrachloromethane 3390.2
    n-pentyl acetate 2659.14
    transcutol 5269.85
    n-heptanol 1219.09
    ethylbenzene 1838.14
    MIBK 1971.69
    2-propoxyethanol 2531.95
    tert-butanol 3508.11
    MTBE 4851.95
    2-butoxyethanol 1439.32
    propionic acid 2123.87
    o-xylene 1961.33
    formic acid 430.08
    diethyl ether 6119.08
    m-xylene 1890.86
    p-xylene 2408.5
    chlorobenzene 3601.2
    dimethyl carbonate 816.46
    n-octane 741.77
    formamide 598.27
    cyclopentanone 4863.63
    2-pentanone 3608.88
    anisole 2126.89
    cyclopentyl methyl ether 5012.65
    gamma-butyrolactone 4377.15
    1-methoxy-2-propanol 1945.94
    pyridine 4933.45
    3-pentanone 3333.54
    furfural 3260.19
    n-dodecane 392.13
    diethylene glycol 1188.73
    diisopropyl ether 2009.97
    tert-amyl alcohol 3843.96
    acetylacetone 2728.96
    n-hexadecane 459.66
    acetophenone 1933.03
    methyl propionate 2471.38
    isopentyl acetate 3294.43
    trichloroethylene 10644.42
    n-nonanol 1383.36
    cyclohexanol 4738.41
    benzyl alcohol 1475.96
    2-ethylhexanol 2534.12
    isooctanol 1133.82
    dipropyl ether 4023.04
    1,2-dichlorobenzene 3137.42
    ethyl lactate 858.7
    propylene carbonate 2614.58
    n-methylformamide 1361.51
    2-pentanol 2829.87
    n-pentane 2903.24
    1-propoxy-2-propanol 2380.64
    1-methoxy-2-propyl acetate 2046.78
    2-(2-methoxypropoxy) propanol 1352.47
    mesitylene 1326.21
    ε-caprolactone 4587.52
    p-cymene 1337.02
    epichlorohydrin 4978.15
    1,1,1-trichloroethane 7887.93
    2-aminoethanol 757.54
    morpholine-4-carbaldehyde 2957.67
    sulfolane 5397.46
    2,2,4-trimethylpentane 1148.46
    2-methyltetrahydrofuran 6551.0
    n-hexyl acetate 3350.13
    isooctane 704.58
    2-(2-butoxyethoxy)ethanol 1746.41
    sec-butyl acetate 2084.43
    tert-butyl acetate 2554.47
    decalin 1786.86
    glycerin 632.42
    diglyme 3268.87
    acrylic acid 1589.51
    isopropyl myristate 1231.74
    n-butyric acid 3577.41
    acetyl acetate 2231.06
    di(2-ethylhexyl) phthalate 890.52
    ethyl propionate 2461.21
    nitromethane 3267.0
    1,2-diethoxyethane 3859.17
    benzonitrile 2650.76
    trioctyl phosphate 718.66
    1-bromopropane 7030.14
    gamma-valerolactone 4187.31
    n-decanol 959.4
    triethyl phosphate 1146.95
    4-methyl-2-pentanol 1410.51
    propionitrile 3100.78
    vinylene carbonate 2276.44
    1,1,2-trichlorotrifluoroethane 3428.04
    DMS 1750.0
    cumene 1225.21
    2-octanol 1213.44
    2-hexanone 2975.29
    octyl acetate 1460.79
    limonene 2599.24
    1,2-dimethoxyethane 3839.13
    ethyl orthosilicate 1239.69
    tributyl phosphate 1061.15
    diacetone alcohol 1742.28
    N,N-dimethylaniline 1584.65
    acrylonitrile 2762.14
    aniline 2522.21
    1,3-propanediol 1234.65
    bromobenzene 4602.6
    dibromomethane 9577.17
    1,1,2,2-tetrachloroethane 9836.83
    2-methyl-cyclohexyl acetate 2008.94
    tetrabutyl urea 1281.56
    diisobutyl methanol 1373.78
    2-phenylethanol 1499.09
    styrene 2329.61
    dioctyl adipate 1613.17
    dimethyl sulfate 1359.96
    ethyl butyrate 2877.07
    methyl lactate 848.08
    butyl lactate 1426.1
    diethyl carbonate 1714.01
    propanediol butyl ether 1264.67
    triethyl orthoformate 1947.84
    p-tert-butyltoluene 1226.04
    methyl 4-tert-butylbenzoate 1456.98
    morpholine 5422.29
    tert-butylamine 3401.44
    n-dodecanol 763.36
    dimethoxymethane 2016.25
    ethylene carbonate 2158.52
    cyrene 1107.15
    2-ethoxyethyl acetate 2151.45
    2-ethylhexyl acetate 2923.28
    1,2,4-trichlorobenzene 3362.62
    4-methylpyridine 5068.87
    dibutyl ether 3889.45
    2,6-dimethyl-4-heptanol 1373.78
    DEF 3844.47
    dimethyl isosorbide 2140.37
    tetrachloroethylene 6549.57
    eugenol 1183.33
    triacetin 2163.12
    span 80 1488.95
    1,4-butanediol 654.85
    1,1-dichloroethane 7360.62
    2-methyl-1-pentanol 2330.38
    methyl formate 1052.01
    2-methyl-1-butanol 3181.72
    n-decane 782.41
    butyronitrile 3813.86
    3,7-dimethyl-1-octanol 1723.56
    1-chlorooctane 2155.74
    1-chlorotetradecane 765.05
    n-nonane 919.23
    undecane 521.3
    tert-butylcyclohexane 1409.69
    cyclooctane 1859.34
    cyclopentanol 3287.39
    tetrahydropyran 7929.59
    tert-amyl methyl ether 3924.86
    2,5,8-trioxanonane 2003.79
    1-hexene 5963.81
    2-isopropoxyethanol 1559.8
    2,2,2-trifluoroethanol 742.23
    methyl butyrate 3228.88

    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