Dictagymnin

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  • Identifiers

    CAS number
    56045-79-5

    Molecular formula
    C14H18O

    SMILES
    CC(=CCOC1=CC=C(C=C1)CC=C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 66.58%
    Floral 64.63%
    Spicy 53.14%
    Sweet 50.54%
    Green 49.16%
    Fresh 39.82%
    Woody 37.6%
    Balsamic 34.87%
    Anisic 32.69%
    Rose 31.46%

     

    Flavor
    Sweet 70.07%
    Green 61.99%
    Spicy 52.71%
    Balsam 49.63%
    Floral 44.83%
    Fresh 44.78%
    Herbal 41.7%
    Bitter 40.74%
    Anise 39.5%
    Spice 39.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.46 (weak base)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 113.55 ˚C est.

  • Synonyms

    • Dictagymnin
    • 1-Allyl-4-prenyloxybenzene
    • CHEBI:173563
    • DTXSID201203817
    • 1-[(3-METHYLBUT-2-EN-1-YL)OXY]-4-(PROP-2-EN-1-YL)BENZENE
    • 1-(3-methylbut-2-enoxy)-4-prop-2-enylbenzene
    • 1-[(3-Methyl-2-butenyl)oxy]-4-(2-propenyl)benzene, 9CI
    • 1-[(3-Methyl-2-buten-1-yl)oxy]-4-(2-propen-1-yl)benzene
    • 56045-79-5
    • 56045-79-5

  • Applications

    Dictagymnin (CAS 56045-79-5) is an organic compound that may find use in several industrial applications: as an intermediate in organic synthesis; as a solvent or co-solvent in various formulations; as a processing additive or stabilizer in polymers and plastics; as a component or carrier in coatings and inks; and as a solvent in cleaning formulations. Its actual use depends on formulation needs and is typically evaluated on a case-by-case basis, with attention to compatibility, performance requirements, and compliance with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 651.57
    methanol 351.26
    isopropanol 455.34
    water 0.08
    ethyl acetate 1319.2
    n-propanol 524.08
    acetone 450.6
    n-butanol 646.88
    acetonitrile 534.92
    DMF 171.3
    toluene 691.0
    isobutanol 350.16
    1,4-dioxane 1875.2
    methyl acetate 671.82
    THF 1335.33
    2-butanone 659.15
    n-pentanol 483.75
    sec-butanol 586.35
    n-hexane 391.93
    ethylene glycol 48.47
    NMP 154.14
    cyclohexane 511.89
    DMSO 455.94
    n-butyl acetate 851.57
    n-octanol 180.13
    chloroform 2628.74
    n-propyl acetate 564.85
    acetic acid 352.88
    dichloromethane 2177.92
    cyclohexanone 671.71
    propylene glycol 160.13
    isopropyl acetate 622.35
    DMAc 359.22
    2-ethoxyethanol 574.02
    isopentanol 515.4
    n-heptane 194.83
    ethyl formate 281.03
    1,2-dichloroethane 1389.46
    n-hexanol 654.76
    2-methoxyethanol 630.72
    isobutyl acetate 358.99
    tetrachloromethane 259.97
    n-pentyl acetate 291.53
    transcutol 2864.91
    n-heptanol 182.99
    ethylbenzene 357.59
    MIBK 370.11
    2-propoxyethanol 707.65
    tert-butanol 596.8
    MTBE 1015.34
    2-butoxyethanol 290.03
    propionic acid 266.35
    o-xylene 309.86
    formic acid 54.83
    diethyl ether 1850.74
    m-xylene 357.56
    p-xylene 362.6
    chlorobenzene 578.06
    dimethyl carbonate 155.26
    n-octane 53.45
    formamide 91.59
    cyclopentanone 430.79
    2-pentanone 592.42
    anisole 581.05
    cyclopentyl methyl ether 704.5
    gamma-butyrolactone 431.57
    1-methoxy-2-propanol 533.76
    pyridine 1047.52
    3-pentanone 514.55
    furfural 462.2
    n-dodecane 36.08
    diethylene glycol 336.68
    diisopropyl ether 432.85
    tert-amyl alcohol 618.68
    acetylacetone 550.03
    n-hexadecane 41.82
    acetophenone 385.29
    methyl propionate 522.08
    isopentyl acetate 694.49
    trichloroethylene 2062.27
    n-nonanol 180.71
    cyclohexanol 538.17
    benzyl alcohol 346.48
    2-ethylhexanol 432.18
    isooctanol 162.91
    dipropyl ether 800.28
    1,2-dichlorobenzene 475.15
    ethyl lactate 177.26
    propylene carbonate 349.92
    n-methylformamide 102.32
    2-pentanol 551.4
    n-pentane 261.98
    1-propoxy-2-propanol 608.57
    1-methoxy-2-propyl acetate 694.11
    2-(2-methoxypropoxy) propanol 450.43
    mesitylene 213.13
    ε-caprolactone 610.62
    p-cymene 192.49
    epichlorohydrin 1053.35
    1,1,1-trichloroethane 1127.29
    2-aminoethanol 163.53
    morpholine-4-carbaldehyde 441.23
    sulfolane 406.4
    2,2,4-trimethylpentane 97.69
    2-methyltetrahydrofuran 1178.01
    n-hexyl acetate 427.64
    isooctane 78.42
    2-(2-butoxyethoxy)ethanol 633.69
    sec-butyl acetate 437.36
    tert-butyl acetate 571.18
    decalin 176.79
    glycerin 160.29
    diglyme 1200.01
    acrylic acid 168.86
    isopropyl myristate 211.38
    n-butyric acid 554.03
    acetyl acetate 594.13
    di(2-ethylhexyl) phthalate 160.58
    ethyl propionate 511.72
    nitromethane 428.26
    1,2-diethoxyethane 1340.37
    benzonitrile 396.26
    trioctyl phosphate 103.92
    1-bromopropane 1167.21
    gamma-valerolactone 604.38
    n-decanol 141.27
    triethyl phosphate 220.47
    4-methyl-2-pentanol 263.06
    propionitrile 449.92
    vinylene carbonate 301.95
    1,1,2-trichlorotrifluoroethane 521.53
    DMS 366.55
    cumene 213.76
    2-octanol 128.68
    2-hexanone 496.21
    octyl acetate 232.88
    limonene 309.3
    1,2-dimethoxyethane 985.02
    ethyl orthosilicate 242.1
    tributyl phosphate 159.34
    diacetone alcohol 415.95
    N,N-dimethylaniline 316.3
    acrylonitrile 343.74
    aniline 497.36
    1,3-propanediol 294.6
    bromobenzene 716.15
    dibromomethane 1681.0
    1,1,2,2-tetrachloroethane 1887.24
    2-methyl-cyclohexyl acetate 393.7
    tetrabutyl urea 181.01
    diisobutyl methanol 242.41
    2-phenylethanol 385.04
    styrene 450.77
    dioctyl adipate 286.41
    dimethyl sulfate 150.22
    ethyl butyrate 592.64
    methyl lactate 156.31
    butyl lactate 199.17
    diethyl carbonate 388.04
    propanediol butyl ether 256.29
    triethyl orthoformate 410.65
    p-tert-butyltoluene 182.79
    methyl 4-tert-butylbenzoate 285.91
    morpholine 1891.5
    tert-butylamine 463.1
    n-dodecanol 117.1
    dimethoxymethane 435.31
    ethylene carbonate 298.79
    cyrene 234.41
    2-ethoxyethyl acetate 491.1
    2-ethylhexyl acetate 561.35
    1,2,4-trichlorobenzene 532.75
    4-methylpyridine 799.42
    dibutyl ether 547.61
    2,6-dimethyl-4-heptanol 242.41
    DEF 478.06
    dimethyl isosorbide 610.56
    tetrachloroethylene 1004.13
    eugenol 256.71
    triacetin 409.23
    span 80 340.47
    1,4-butanediol 120.85
    1,1-dichloroethane 1259.26
    2-methyl-1-pentanol 467.09
    methyl formate 82.72
    2-methyl-1-butanol 504.86
    n-decane 63.38
    butyronitrile 573.19
    3,7-dimethyl-1-octanol 260.29
    1-chlorooctane 216.09
    1-chlorotetradecane 95.69
    n-nonane 67.59
    undecane 44.81
    tert-butylcyclohexane 149.5
    cyclooctane 171.85
    cyclopentanol 265.61
    tetrahydropyran 2048.27
    tert-amyl methyl ether 690.13
    2,5,8-trioxanonane 763.01
    1-hexene 843.95
    2-isopropoxyethanol 423.23
    2,2,2-trifluoroethanol 70.62
    methyl butyrate 567.56

    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