3-Hexene, 1,1-diethoxy-, (3Z)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    73545-18-3

    Molecular formula
    C10H20O2

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

  • Odor profile

    Fragrance
    Green 93.92%
    Apple 66.13%
    Fruity 65.29%
    Vegetable 59.28%
    Fresh 52.38%
    Herbal 52.34%
    Leafy 50.36%
    Tropical 42.16%
    Fatty 42.12%
    Melon 39.75%

     

    Flavor
    Fruity 54.33%
    Green 48.82%
    Tropical 36.47%
    Vegetable 29.59%
    Ethereal 27.32%
    Fresh 26.15%
    Apple 24.55%
    Earthy 24.01%
    Pineapple 23.85%
    Fatty 23.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.06 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point

    • 58.68 ˚C est.

  • Synonyms

    • cis-3-Hexenal diethyl acetal
    • 73545-18-3
    • (Z)-1,1-Diethoxyhex-3-ene
    • 3-Hexene, 1,1-diethoxy-, (3Z)-
    • 3-Hexene, 1,1-diethoxy-, (Z)-
    • cis-3-Hexenal, diethyl acetal
    • (3Z)-1,1-Diethoxy-3-hexene
    • EINECS 277-532-7
    • DTXSID80888409
    • cis-1,1-Diethoxy-3-hexene
    • SCHEMBL873736
    • (Z)-3-Hexenal diethyl acetal
    • DTXCID201027687
    • AKOS006274030
    • NS00058939
    • Q63408898
    • 277-532-7

  • Applications

    3-Hexene, 1,1-diethoxy-, (3Z)- (CAS 73545-18-3) is primarily used as an organic synthesis intermediate. In fragrance and flavor chemistry, it can serve as a masked unsaturated aldehyde precursor, enabling selective transformations and controlled release or formation of odor-active compounds after deprotection. It is also employed as a building block in specialty polymers and resins, where the acetal groups and vinyl-like functionality enable incorporation into polymer backbones or crosslinking chemistry. The compound may be evaluated for use in cosmetics/personal care as a fragrance ingredient precursor, and in coatings or inks as a reactive modifier. It may also find utility in pharmaceutical research as a synthetic intermediate for route development. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2173.14
    methanol 1963.35
    isopropanol 1988.89
    water 1.0
    ethyl acetate 2510.99
    n-propanol 2079.38
    acetone 2636.67
    n-butanol 2233.89
    acetonitrile 2251.94
    DMF 2015.2
    toluene 2074.59
    isobutanol 1864.19
    1,4-dioxane 3737.62
    methyl acetate 1770.58
    THF 4252.42
    2-butanone 2123.0
    n-pentanol 1563.16
    sec-butanol 2457.09
    n-hexane 2765.1
    ethylene glycol 322.13
    NMP 2661.46
    cyclohexane 4730.34
    DMSO 2565.21
    n-butyl acetate 2664.79
    n-octanol 1248.59
    chloroform 8915.59
    n-propyl acetate 1637.22
    acetic acid 2432.33
    dichloromethane 7537.02
    cyclohexanone 4201.03
    propylene glycol 500.21
    isopropyl acetate 1609.84
    DMAc 2000.04
    2-ethoxyethanol 1353.46
    isopentanol 2007.66
    n-heptane 1788.52
    ethyl formate 1232.46
    1,2-dichloroethane 4298.17
    n-hexanol 2305.68
    2-methoxyethanol 1916.26
    isobutyl acetate 1088.94
    tetrachloromethane 2377.92
    n-pentyl acetate 1657.97
    transcutol 3279.44
    n-heptanol 947.76
    ethylbenzene 1173.72
    MIBK 1165.11
    2-propoxyethanol 1915.89
    tert-butanol 2777.17
    MTBE 3147.5
    2-butoxyethanol 1044.9
    propionic acid 1611.4
    o-xylene 1295.9
    formic acid 423.64
    diethyl ether 3633.81
    m-xylene 1270.35
    p-xylene 1588.34
    chlorobenzene 2363.35
    dimethyl carbonate 533.15
    n-octane 536.35
    formamide 501.09
    cyclopentanone 3090.12
    2-pentanone 2079.3
    anisole 1354.73
    cyclopentyl methyl ether 3174.93
    gamma-butyrolactone 3028.36
    1-methoxy-2-propanol 1499.18
    pyridine 3499.25
    3-pentanone 1860.79
    furfural 2268.51
    n-dodecane 323.07
    diethylene glycol 1000.57
    diisopropyl ether 1175.46
    tert-amyl alcohol 2802.28
    acetylacetone 1726.46
    n-hexadecane 370.32
    acetophenone 1176.93
    methyl propionate 1518.08
    isopentyl acetate 2059.4
    trichloroethylene 6608.43
    n-nonanol 1078.89
    cyclohexanol 3633.44
    benzyl alcohol 1030.59
    2-ethylhexanol 1778.57
    isooctanol 840.0
    dipropyl ether 2566.78
    1,2-dichlorobenzene 1964.29
    ethyl lactate 589.86
    propylene carbonate 1880.15
    n-methylformamide 1006.49
    2-pentanol 2025.07
    n-pentane 1979.27
    1-propoxy-2-propanol 1678.28
    1-methoxy-2-propyl acetate 1331.09
    2-(2-methoxypropoxy) propanol 936.73
    mesitylene 862.05
    ε-caprolactone 3158.01
    p-cymene 897.1
    epichlorohydrin 3239.63
    1,1,1-trichloroethane 5092.24
    2-aminoethanol 718.11
    morpholine-4-carbaldehyde 2127.35
    sulfolane 3420.27
    2,2,4-trimethylpentane 714.69
    2-methyltetrahydrofuran 4468.01
    n-hexyl acetate 2176.11
    isooctane 437.42
    2-(2-butoxyethoxy)ethanol 1212.58
    sec-butyl acetate 1225.2
    tert-butyl acetate 1561.09
    decalin 1162.29
    glycerin 590.62
    diglyme 2172.3
    acrylic acid 1229.14
    isopropyl myristate 872.03
    n-butyric acid 2761.09
    acetyl acetate 1600.79
    di(2-ethylhexyl) phthalate 636.0
    ethyl propionate 1472.37
    nitromethane 2372.16
    1,2-diethoxyethane 2313.36
    benzonitrile 1751.6
    trioctyl phosphate 524.88
    1-bromopropane 4205.32
    gamma-valerolactone 2891.49
    n-decanol 755.84
    triethyl phosphate 792.36
    4-methyl-2-pentanol 958.14
    propionitrile 2032.26
    vinylene carbonate 1614.67
    1,1,2-trichlorotrifluoroethane 2484.71
    DMS 1130.45
    cumene 785.18
    2-octanol 885.75
    2-hexanone 1666.51
    octyl acetate 1025.89
    limonene 1717.06
    1,2-dimethoxyethane 2603.95
    ethyl orthosilicate 838.11
    tributyl phosphate 725.79
    diacetone alcohol 1163.81
    N,N-dimethylaniline 1031.25
    acrylonitrile 1798.83
    aniline 1681.72
    1,3-propanediol 1066.63
    bromobenzene 2906.89
    dibromomethane 6028.26
    1,1,2,2-tetrachloroethane 6248.33
    2-methyl-cyclohexyl acetate 1370.78
    tetrabutyl urea 864.28
    diisobutyl methanol 934.88
    2-phenylethanol 1066.57
    styrene 1502.66
    dioctyl adipate 1140.97
    dimethyl sulfate 833.37
    ethyl butyrate 1824.3
    methyl lactate 622.49
    butyl lactate 898.06
    diethyl carbonate 1144.63
    propanediol butyl ether 891.9
    triethyl orthoformate 1325.73
    p-tert-butyltoluene 838.52
    methyl 4-tert-butylbenzoate 1013.95
    morpholine 4163.51
    tert-butylamine 2568.49
    n-dodecanol 601.61
    dimethoxymethane 1415.05
    ethylene carbonate 1593.13
    cyrene 789.56
    2-ethoxyethyl acetate 1333.91
    2-ethylhexyl acetate 1817.45
    1,2,4-trichlorobenzene 2195.92
    4-methylpyridine 3287.74
    dibutyl ether 2451.62
    2,6-dimethyl-4-heptanol 934.88
    DEF 2338.89
    dimethyl isosorbide 1491.95
    tetrachloroethylene 4331.84
    eugenol 834.29
    triacetin 1452.11
    span 80 1103.38
    1,4-butanediol 527.33
    1,1-dichloroethane 4831.17
    2-methyl-1-pentanol 1522.13
    methyl formate 769.45
    2-methyl-1-butanol 2110.82
    n-decane 593.83
    butyronitrile 2493.86
    3,7-dimethyl-1-octanol 1220.74
    1-chlorooctane 1489.58
    1-chlorotetradecane 566.3
    n-nonane 682.65
    undecane 409.97
    tert-butylcyclohexane 916.29
    cyclooctane 1335.79
    cyclopentanol 2611.69
    tetrahydropyran 5769.42
    tert-amyl methyl ether 2343.54
    2,5,8-trioxanonane 1436.59
    1-hexene 3594.99
    2-isopropoxyethanol 1106.87
    2,2,2-trifluoroethanol 639.57
    methyl butyrate 1924.3

    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