2,4-Hexadiene, 1,1-diethoxy-

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  • Identifiers

    CAS number
    27310-22-1

    Molecular formula
    C10H18O2

    SMILES
    CCOC(/C=C/C=C/C)OCC

  • Odor profile

    Fragrance
    Green 83.99%
    Fruity 53.98%
    Fresh 49.87%
    Tropical 49.23%
    Herbal 43.46%
    Vegetable 42.11%
    Spicy 41.24%
    Apple 41.16%
    Sweet 37.69%
    Leafy 33.37%

     

    Flavor
    Green 59.37%
    Fruity 45.61%
    Vegetable 34.51%
    Tropical 32.51%
    Sweet 26.46%
    Ethereal 26.29%
    Earthy 25.46%
    Fresh 25.03%
    Fatty 23.5%
    Grassy 23.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.91 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 64.34 ˚C est.

  • Synonyms

    • 2,4-Hexadiene, 1,1-diethoxy-
    • 27310-22-1
    • 94088-28-5
    • EINECS 248-392-4
    • (2E,4E)-1,1-diethoxyhexa-2,4-diene
    • 2,4-Hexadienal, diethyl acetal
    • EINECS 302-027-6
    • (E,E)-1,1-Diethoxyhexa-2,4-diene
    • AI3-32970
    • 1,1-Diethoxyhexa-2,4-diene
    • DTXSID2067298
    • (2E,4E)-1,1-Diethoxy-2,4-hexadiene
    • sorbaldehyde diethyl acetal
    • TRANS,TRANS-2,4-HEXADIENAL DIETHYL ACETAL
    • DTXCID0037655
    • SCHEMBL20536829
    • DTXSID301295734
    • AKOS006228863
    • (2E,4E)-1,1-Diethoxy-2,4-hexadiene #
    • 2,4-Hexadiene, 1,1-diethoxy-, (E,E)-
    • 2,4-Hexadiene,1,1-diethoxy-,(2E,4E)-
    • NS00012532

  • Applications

    2,4-Hexadiene, 1,1-diethoxy- (CAS 27310-22-1) is commonly used as an organic synthesis intermediate, notably as an aldehyde-protecting acetal that enables subsequent transformations while preserving carbonyl functionality. It may also serve as a building block in specialty polymers or copolymers after deprotection to reveal the diene, supporting applications in polymers and coatings. The compound can also function as a precursor in pharmaceutical manufacturing or in the development of complex organic intermediates. While not a commodity solvent or additive, its acetal protection and conjugated diene chemistry make it suitable for controlled synthetic routes in process chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1250.35
    methanol 1171.59
    isopropanol 1092.07
    water 0.97
    ethyl acetate 1566.4
    n-propanol 1193.38
    acetone 1893.51
    n-butanol 1280.23
    acetonitrile 1523.14
    DMF 1649.2
    toluene 1245.77
    isobutanol 1054.86
    1,4-dioxane 2223.31
    methyl acetate 1236.36
    THF 2720.73
    2-butanone 1469.08
    n-pentanol 930.45
    sec-butanol 1368.24
    n-hexane 1410.5
    ethylene glycol 225.8
    NMP 2166.61
    cyclohexane 2356.89
    DMSO 2050.11
    n-butyl acetate 1579.1
    n-octanol 775.85
    chloroform 6538.22
    n-propyl acetate 1060.63
    acetic acid 1765.01
    dichloromethane 5777.99
    cyclohexanone 2706.01
    propylene glycol 329.44
    isopropyl acetate 971.83
    DMAc 1638.56
    2-ethoxyethanol 889.25
    isopentanol 1122.13
    n-heptane 884.07
    ethyl formate 858.85
    1,2-dichloroethane 3259.6
    n-hexanol 1299.94
    2-methoxyethanol 1242.96
    isobutyl acetate 685.53
    tetrachloromethane 1557.33
    n-pentyl acetate 986.18
    transcutol 2084.01
    n-heptanol 569.29
    ethylbenzene 762.91
    MIBK 744.68
    2-propoxyethanol 1159.63
    tert-butanol 1638.63
    MTBE 1794.31
    2-butoxyethanol 653.93
    propionic acid 1128.58
    o-xylene 829.29
    formic acid 303.68
    diethyl ether 1975.44
    m-xylene 786.64
    p-xylene 1050.27
    chlorobenzene 1608.6
    dimethyl carbonate 464.16
    n-octane 303.96
    formamide 385.61
    cyclopentanone 2320.86
    2-pentanone 1322.24
    anisole 931.1
    cyclopentyl methyl ether 1909.97
    gamma-butyrolactone 2375.0
    1-methoxy-2-propanol 969.97
    pyridine 2257.5
    3-pentanone 1243.65
    furfural 1759.2
    n-dodecane 196.26
    diethylene glycol 660.82
    diisopropyl ether 647.03
    tert-amyl alcohol 1625.5
    acetylacetone 1233.9
    n-hexadecane 221.99
    acetophenone 845.98
    methyl propionate 1087.69
    isopentyl acetate 1197.64
    trichloroethylene 5077.2
    n-nonanol 666.36
    cyclohexanol 2016.1
    benzyl alcohol 696.79
    2-ethylhexanol 998.63
    isooctanol 506.41
    dipropyl ether 1449.12
    1,2-dichlorobenzene 1425.31
    ethyl lactate 441.17
    propylene carbonate 1448.9
    n-methylformamide 764.29
    2-pentanol 1120.8
    n-pentane 1014.57
    1-propoxy-2-propanol 1013.39
    1-methoxy-2-propyl acetate 865.53
    2-(2-methoxypropoxy) propanol 645.23
    mesitylene 556.79
    ε-caprolactone 2052.6
    p-cymene 569.64
    epichlorohydrin 2384.01
    1,1,1-trichloroethane 3623.57
    2-aminoethanol 459.02
    morpholine-4-carbaldehyde 1504.26
    sulfolane 2875.78
    2,2,4-trimethylpentane 407.81
    2-methyltetrahydrofuran 2678.95
    n-hexyl acetate 1354.48
    isooctane 243.16
    2-(2-butoxyethoxy)ethanol 809.31
    sec-butyl acetate 753.35
    tert-butyl acetate 965.25
    decalin 656.57
    glycerin 425.83
    diglyme 1441.27
    acrylic acid 950.8
    isopropyl myristate 586.71
    n-butyric acid 1717.91
    acetyl acetate 1084.08
    di(2-ethylhexyl) phthalate 448.03
    ethyl propionate 972.2
    nitromethane 1865.11
    1,2-diethoxyethane 1355.11
    benzonitrile 1173.11
    trioctyl phosphate 366.12
    1-bromopropane 2721.94
    gamma-valerolactone 1989.67
    n-decanol 477.67
    triethyl phosphate 563.31
    4-methyl-2-pentanol 550.74
    propionitrile 1351.25
    vinylene carbonate 1266.8
    1,1,2-trichlorotrifluoroethane 1844.09
    DMS 827.06
    cumene 508.97
    2-octanol 535.34
    2-hexanone 1074.3
    octyl acetate 695.14
    limonene 1027.87
    1,2-dimethoxyethane 1645.99
    ethyl orthosilicate 567.55
    tributyl phosphate 507.03
    diacetone alcohol 771.98
    N,N-dimethylaniline 735.57
    acrylonitrile 1283.31
    aniline 1105.74
    1,3-propanediol 686.39
    bromobenzene 2036.19
    dibromomethane 4399.47
    1,1,2,2-tetrachloroethane 4732.99
    2-methyl-cyclohexyl acetate 894.99
    tetrabutyl urea 612.31
    diisobutyl methanol 538.49
    2-phenylethanol 706.4
    styrene 981.22
    dioctyl adipate 775.88
    dimethyl sulfate 761.47
    ethyl butyrate 1165.42
    methyl lactate 483.67
    butyl lactate 588.11
    diethyl carbonate 822.3
    propanediol butyl ether 589.46
    triethyl orthoformate 833.06
    p-tert-butyltoluene 534.79
    methyl 4-tert-butylbenzoate 742.65
    morpholine 2399.77
    tert-butylamine 1461.9
    n-dodecanol 386.92
    dimethoxymethane 1021.21
    ethylene carbonate 1142.29
    cyrene 617.49
    2-ethoxyethyl acetate 858.87
    2-ethylhexyl acetate 1082.55
    1,2,4-trichlorobenzene 1614.37
    4-methylpyridine 2096.5
    dibutyl ether 1356.51
    2,6-dimethyl-4-heptanol 538.49
    DEF 1616.87
    dimethyl isosorbide 1070.92
    tetrachloroethylene 3189.03
    eugenol 623.69
    triacetin 1021.04
    span 80 740.42
    1,4-butanediol 360.7
    1,1-dichloroethane 3443.42
    2-methyl-1-pentanol 905.18
    methyl formate 621.85
    2-methyl-1-butanol 1186.6
    n-decane 342.06
    butyronitrile 1608.57
    3,7-dimethyl-1-octanol 731.17
    1-chlorooctane 914.1
    1-chlorotetradecane 359.7
    n-nonane 391.24
    undecane 242.4
    tert-butylcyclohexane 539.01
    cyclooctane 697.18
    cyclopentanol 1637.58
    tetrahydropyran 3228.76
    tert-amyl methyl ether 1367.36
    2,5,8-trioxanonane 990.66
    1-hexene 2015.29
    2-isopropoxyethanol 715.17
    2,2,2-trifluoroethanol 505.96
    methyl butyrate 1316.92

    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