Acetaldehyde di-cis-3-hexenyl acetal

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  • Identifiers

    CAS number
    63449-64-9

    Molecular formula
    C14H26O2

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

  • Odor profile

    Fragrance
    Green 94.23%
    Vegetable 64.83%
    Apple 59.48%
    Leafy 56.36%
    Fresh 53.82%
    Fruity 52.02%
    Tropical 49.63%
    Herbal 47.91%
    Violet 47.53%
    Melon 46.93%

     

    Flavor
    Green 52.22%
    Fresh 37.76%
    Melon 33.25%
    Fruity 32.52%
    Tropical 32.14%
    Vegetable 26.9%
    Waxy 25.79%
    Fatty 23.84%
    Metallic 22.86%
    Grassy 22.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.75 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 114.01 ˚C est.

  • Synonyms

    • 63449-64-9
    • acetaldehyde di-cis-3-hexenyl acetal
    • (Z,Z)-1,1'-[ethylidenebis(oxy)]di(hex-3-ene)
    • Acetaldehyde, di(cis-3-hexenyl)acetal
    • (Z)-1-[1-[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
    • S23F4O70HS
    • 3-Hexene, 1,1'-(ethylidenebis(oxy))bis-, (Z,Z)-
    • 3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (Z,Z)-
    • (Z)-1-(1-(((Z)-hex-3-en-1-yl)oxy)ethoxy)hex-3-ene
    • Leaf alcohol (dihexenyl) acetal
    • (Z,Z)-1,1'-(Ethylidenebis(oxy))di(hex-3-ene)
    • UNII-S23F4O70HS
    • EINECS 264-154-2
    • acetaldehyde di-(Z)-3-hexen-1-yl acetal
    • SCHEMBL3508513
    • FEMA NO. 4381
    • CHEBI:179329
    • di(cis-3-hexenyl)acetalacetaldehyde
    • Acetaldehyde di-(cis-3-hexenyl) acetal
    • DB-200641
    • NS00012419
    • ACETALDEHYDE, DI-CIS-3-HEXENYL ACETAL
    • 1,1'-[Ethylidenebis(oxy)]bis-(Z,Z)-3-Hexene
    • 1,1'-[Ethylidenebis(oxy)]bis-(3Z,3'Z)-3-Hexene
    • ACETALDEHYDE, DI-CIS-3-HEXENYL ACETAL [FHFI]
    • Q27288471
    • (3Z)-1-(1-[(3Z)-3-Hexenyloxy]ethoxy)-3-hexene #
    • (Z)-1-(1-((Z)-HEX-3-EN-1-YLOXY)ETHOXY)HEX-3-ENE
    • (3Z)-1-{1-[(3Z)-HEX-3-EN-1-YLOXY]ETHOXY}HEX-3-ENE

  • Applications

    Acetaldehyde di-cis-3-hexenyl acetal (CAS 63449-64-9) is primarily used as an odorant/fragrance ingredient and as an intermediate in fragrance chemistry. In perfumery, it contributes green, fresh notes and can serve as a building block for more complex aroma compounds. It may also be employed in cosmetics and personal care products to impart or stabilize a desirable scent, and in household cleaning formulations to supply a characteristic fresh aroma. In coatings, inks, and other industrial formulations, it can act as a fragrance additive to enhance consumer-facing scent profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 364.61
    methanol 255.79
    isopropanol 393.27
    water 0.07
    ethyl acetate 1515.86
    n-propanol 426.59
    acetone 1080.25
    n-butanol 577.46
    acetonitrile 646.11
    DMF 790.73
    toluene 1218.5
    isobutanol 466.14
    1,4-dioxane 1693.69
    methyl acetate 923.99
    THF 2440.24
    2-butanone 1139.14
    n-pentanol 469.85
    sec-butanol 559.78
    n-hexane 1277.43
    ethylene glycol 38.06
    NMP 1497.36
    cyclohexane 2545.44
    DMSO 1311.09
    n-butyl acetate 1694.88
    n-octanol 410.43
    chloroform 4267.67
    n-propyl acetate 1157.89
    acetic acid 487.19
    dichloromethane 4233.99
    cyclohexanone 2544.03
    propylene glycol 79.91
    isopropyl acetate 1176.44
    DMAc 1175.24
    2-ethoxyethanol 513.16
    isopentanol 697.71
    n-heptane 905.68
    ethyl formate 479.93
    1,2-dichloroethane 2835.14
    n-hexanol 727.42
    2-methoxyethanol 557.73
    isobutyl acetate 817.95
    tetrachloromethane 1158.12
    n-pentyl acetate 1074.95
    transcutol 2183.02
    n-heptanol 338.06
    ethylbenzene 741.26
    MIBK 894.63
    2-propoxyethanol 800.81
    tert-butanol 805.79
    MTBE 1611.43
    2-butoxyethanol 490.98
    propionic acid 435.97
    o-xylene 897.91
    formic acid 69.15
    diethyl ether 1988.41
    m-xylene 827.15
    p-xylene 977.38
    chlorobenzene 1332.54
    dimethyl carbonate 317.36
    n-octane 268.33
    formamide 115.87
    cyclopentanone 2011.35
    2-pentanone 1279.1
    anisole 864.67
    cyclopentyl methyl ether 2184.73
    gamma-butyrolactone 1740.58
    1-methoxy-2-propanol 560.13
    pyridine 1537.08
    3-pentanone 1335.15
    furfural 1168.21
    n-dodecane 139.11
    diethylene glycol 311.89
    diisopropyl ether 901.37
    tert-amyl alcohol 883.23
    acetylacetone 1216.35
    n-hexadecane 168.32
    acetophenone 817.06
    methyl propionate 934.35
    isopentyl acetate 1486.84
    trichloroethylene 4021.36
    n-nonanol 411.88
    cyclohexanol 1269.11
    benzyl alcohol 458.17
    2-ethylhexanol 798.86
    isooctanol 346.44
    dipropyl ether 1701.39
    1,2-dichlorobenzene 1281.15
    ethyl lactate 338.6
    propylene carbonate 1079.59
    n-methylformamide 272.8
    2-pentanol 637.89
    n-pentane 778.57
    1-propoxy-2-propanol 824.67
    1-methoxy-2-propyl acetate 1037.5
    2-(2-methoxypropoxy) propanol 570.61
    mesitylene 652.8
    ε-caprolactone 1930.39
    p-cymene 555.38
    epichlorohydrin 2165.52
    1,1,1-trichloroethane 2997.46
    2-aminoethanol 111.97
    morpholine-4-carbaldehyde 1111.7
    sulfolane 2297.34
    2,2,4-trimethylpentane 392.33
    2-methyltetrahydrofuran 2660.14
    n-hexyl acetate 1262.55
    isooctane 253.17
    2-(2-butoxyethoxy)ethanol 688.91
    sec-butyl acetate 996.37
    tert-butyl acetate 1314.22
    decalin 797.12
    glycerin 114.88
    diglyme 1367.14
    acrylic acid 310.36
    isopropyl myristate 536.17
    n-butyric acid 905.45
    acetyl acetate 968.11
    di(2-ethylhexyl) phthalate 359.13
    ethyl propionate 1147.61
    nitromethane 839.36
    1,2-diethoxyethane 1717.36
    benzonitrile 748.99
    trioctyl phosphate 279.56
    1-bromopropane 2530.58
    gamma-valerolactone 1782.79
    n-decanol 296.58
    triethyl phosphate 617.69
    4-methyl-2-pentanol 430.2
    propionitrile 706.09
    vinylene carbonate 821.83
    1,1,2-trichlorotrifluoroethane 1154.56
    DMS 825.14
    cumene 504.55
    2-octanol 331.91
    2-hexanone 1104.26
    octyl acetate 565.42
    limonene 1098.73
    1,2-dimethoxyethane 1382.89
    ethyl orthosilicate 651.96
    tributyl phosphate 444.21
    diacetone alcohol 737.37
    N,N-dimethylaniline 676.51
    acrylonitrile 616.25
    aniline 776.33
    1,3-propanediol 225.47
    bromobenzene 1884.54
    dibromomethane 3383.46
    1,1,2,2-tetrachloroethane 3928.51
    2-methyl-cyclohexyl acetate 1019.1
    tetrabutyl urea 534.72
    diisobutyl methanol 530.32
    2-phenylethanol 525.05
    styrene 890.65
    dioctyl adipate 734.86
    dimethyl sulfate 583.08
    ethyl butyrate 1356.19
    methyl lactate 271.36
    butyl lactate 559.35
    diethyl carbonate 831.18
    propanediol butyl ether 373.92
    triethyl orthoformate 970.59
    p-tert-butyltoluene 535.36
    methyl 4-tert-butylbenzoate 684.89
    morpholine 1734.01
    tert-butylamine 786.08
    n-dodecanol 242.07
    dimethoxymethane 742.98
    ethylene carbonate 842.16
    cyrene 492.57
    2-ethoxyethyl acetate 961.07
    2-ethylhexyl acetate 1368.81
    1,2,4-trichlorobenzene 1390.74
    4-methylpyridine 1624.62
    dibutyl ether 1441.34
    2,6-dimethyl-4-heptanol 530.32
    DEF 1443.18
    dimethyl isosorbide 1115.08
    tetrachloroethylene 2493.67
    eugenol 494.56
    triacetin 969.39
    span 80 599.51
    1,4-butanediol 115.19
    1,1-dichloroethane 2540.14
    2-methyl-1-pentanol 578.06
    methyl formate 232.01
    2-methyl-1-butanol 681.4
    n-decane 276.23
    butyronitrile 876.02
    3,7-dimethyl-1-octanol 542.45
    1-chlorooctane 745.95
    1-chlorotetradecane 298.89
    n-nonane 305.83
    undecane 183.78
    tert-butylcyclohexane 586.25
    cyclooctane 811.1
    cyclopentanol 868.87
    tetrahydropyran 2974.89
    tert-amyl methyl ether 1397.09
    2,5,8-trioxanonane 929.87
    1-hexene 1641.38
    2-isopropoxyethanol 516.83
    2,2,2-trifluoroethanol 181.71
    methyl butyrate 1346.66

    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