Dillapional

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  • Identifiers

    CAS number
    38971-74-3

    Molecular formula
    C12H12O5

    SMILES
    COC1=C(C2=C(C=C1/C=C/C=O)OCO2)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 63.32%
    Sweet 50.49%
    Vanilla 48.34%
    Floral 40.4%
    Warm 34.75%
    Woody 34.19%
    Powdery 30.15%
    Balsamic 28.33%
    Creamy 28.29%
    Clove 26.49%

     

    Flavor
    Bitter 40.43%
    Spice 31.19%
    Woody 23.34%
    Parsley 21.4%
    Lovage 19.49%
    Ham 19.47%
    Eugenol 19.45%
    Heliotropin 19.37%
    Seedy 19.3%
    Ethyl benzoate 19.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.9 (weak acid)

    Molecular weight
    236.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 154.58 ˚C est.

  • Synonyms

    • DILLAPIONAL
    • 38971-74-3
    • NSC369504
    • (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enal
    • NSC 369504
    • SCHEMBL7191379
    • CHEMBL1983011
    • (E)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propenal
    • DTXSID50420032
    • CHEBI:172477
    • (2E)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal
    • NSC-369504
    • 2-Propenal, 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-, (2E)-
    • 38971-74-3

  • Applications

    Dillapional (CAS 38971-74-3) is primarily used as an odorant in fragrance applications, contributing to the aroma profile of perfumes and related scent formulations; it is commonly employed as a fragrance ingredient in cosmetics and personal care products. It may also be used in household cleaning and air-freshening products to impart a dill-like aroma. In food processing and flavor formulation, it may be evaluated as an aroma compound for flavor applications. In industrial manufacturing, it can serve as an intermediate in organic synthesis and may be incorporated into coatings or inks where a scent contribution is desired, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.53
    methanol 26.71
    isopropanol 9.66
    water 0.58
    ethyl acetate 59.49
    n-propanol 10.72
    acetone 82.98
    n-butanol 10.52
    acetonitrile 73.99
    DMF 122.0
    toluene 11.56
    isobutanol 8.44
    1,4-dioxane 88.79
    methyl acetate 69.85
    THF 90.11
    2-butanone 42.66
    n-pentanol 12.05
    sec-butanol 8.82
    n-hexane 0.71
    ethylene glycol 32.45
    NMP 109.35
    cyclohexane 2.48
    DMSO 196.69
    n-butyl acetate 37.35
    n-octanol 15.77
    chloroform 105.97
    n-propyl acetate 45.42
    acetic acid 61.97
    dichloromethane 141.11
    cyclohexanone 75.38
    propylene glycol 11.1
    isopropyl acetate 31.97
    DMAc 107.49
    2-ethoxyethanol 64.87
    isopentanol 12.15
    n-heptane 1.74
    ethyl formate 65.65
    1,2-dichloroethane 98.19
    n-hexanol 15.99
    2-methoxyethanol 89.39
    isobutyl acetate 28.78
    tetrachloromethane 17.9
    n-pentyl acetate 28.63
    transcutol 81.43
    n-heptanol 14.03
    ethylbenzene 10.77
    MIBK 24.23
    2-propoxyethanol 58.95
    tert-butanol 15.73
    MTBE 12.33
    2-butoxyethanol 42.25
    propionic acid 30.86
    o-xylene 12.78
    formic acid 55.63
    diethyl ether 16.16
    m-xylene 10.43
    p-xylene 16.52
    chlorobenzene 40.38
    dimethyl carbonate 56.18
    n-octane 1.56
    formamide 96.93
    cyclopentanone 99.19
    2-pentanone 33.75
    anisole 35.28
    cyclopentyl methyl ether 28.88
    gamma-butyrolactone 140.49
    1-methoxy-2-propanol 45.09
    pyridine 71.37
    3-pentanone 29.34
    furfural 159.21
    n-dodecane 2.3
    diethylene glycol 95.83
    diisopropyl ether 5.94
    tert-amyl alcohol 13.26
    acetylacetone 83.09
    n-hexadecane 2.65
    acetophenone 51.94
    methyl propionate 52.09
    isopentyl acetate 33.38
    trichloroethylene 168.28
    n-nonanol 15.75
    cyclohexanol 18.17
    benzyl alcohol 38.23
    2-ethylhexanol 15.36
    isooctanol 13.02
    dipropyl ether 12.8
    1,2-dichlorobenzene 51.37
    ethyl lactate 39.55
    propylene carbonate 84.31
    n-methylformamide 77.9
    2-pentanol 7.02
    n-pentane 0.65
    1-propoxy-2-propanol 35.5
    1-methoxy-2-propyl acetate 52.42
    2-(2-methoxypropoxy) propanol 43.53
    mesitylene 7.89
    ε-caprolactone 70.92
    p-cymene 12.47
    epichlorohydrin 152.52
    1,1,1-trichloroethane 59.1
    2-aminoethanol 22.41
    morpholine-4-carbaldehyde 128.94
    sulfolane 165.4
    2,2,4-trimethylpentane 0.97
    2-methyltetrahydrofuran 45.38
    n-hexyl acetate 34.21
    isooctane 0.77
    2-(2-butoxyethoxy)ethanol 49.14
    sec-butyl acetate 25.48
    tert-butyl acetate 30.87
    decalin 2.71
    glycerin 41.21
    diglyme 106.71
    acrylic acid 46.78
    isopropyl myristate 16.93
    n-butyric acid 35.91
    acetyl acetate 56.57
    di(2-ethylhexyl) phthalate 24.98
    ethyl propionate 40.9
    nitromethane 169.74
    1,2-diethoxyethane 32.01
    benzonitrile 61.15
    trioctyl phosphate 18.77
    1-bromopropane 21.27
    gamma-valerolactone 131.87
    n-decanol 13.1
    triethyl phosphate 30.31
    4-methyl-2-pentanol 7.23
    propionitrile 37.15
    vinylene carbonate 90.8
    1,1,2-trichlorotrifluoroethane 129.08
    DMS 51.62
    cumene 10.29
    2-octanol 9.97
    2-hexanone 34.61
    octyl acetate 22.06
    limonene 14.37
    1,2-dimethoxyethane 106.09
    ethyl orthosilicate 23.9
    tributyl phosphate 22.31
    diacetone alcohol 42.88
    N,N-dimethylaniline 26.32
    acrylonitrile 73.05
    aniline 25.2
    1,3-propanediol 31.49
    bromobenzene 38.36
    dibromomethane 74.07
    1,1,2,2-tetrachloroethane 114.25
    2-methyl-cyclohexyl acetate 33.42
    tetrabutyl urea 30.19
    diisobutyl methanol 10.27
    2-phenylethanol 39.6
    styrene 13.17
    dioctyl adipate 29.61
    dimethyl sulfate 94.66
    ethyl butyrate 35.27
    methyl lactate 46.58
    butyl lactate 28.68
    diethyl carbonate 35.0
    propanediol butyl ether 34.0
    triethyl orthoformate 27.13
    p-tert-butyltoluene 11.29
    methyl 4-tert-butylbenzoate 44.77
    morpholine 71.95
    tert-butylamine 7.78
    n-dodecanol 11.23
    dimethoxymethane 87.96
    ethylene carbonate 75.21
    cyrene 62.6
    2-ethoxyethyl acetate 44.74
    2-ethylhexyl acetate 27.5
    1,2,4-trichlorobenzene 57.82
    4-methylpyridine 56.25
    dibutyl ether 15.58
    2,6-dimethyl-4-heptanol 10.27
    DEF 55.96
    dimethyl isosorbide 75.45
    tetrachloroethylene 88.23
    eugenol 51.78
    triacetin 48.85
    span 80 30.03
    1,4-butanediol 20.52
    1,1-dichloroethane 51.08
    2-methyl-1-pentanol 13.76
    methyl formate 102.38
    2-methyl-1-butanol 10.29
    n-decane 2.98
    butyronitrile 32.75
    3,7-dimethyl-1-octanol 15.46
    1-chlorooctane 12.55
    1-chlorotetradecane 7.14
    n-nonane 2.52
    undecane 2.55
    tert-butylcyclohexane 1.94
    cyclooctane 1.27
    cyclopentanol 21.36
    tetrahydropyran 34.6
    tert-amyl methyl ether 11.92
    2,5,8-trioxanonane 74.45
    1-hexene 3.15
    2-isopropoxyethanol 41.35
    2,2,2-trifluoroethanol 60.28
    methyl butyrate 53.98

    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