2,4-Dimethoxy-1-(1-propenyl)benzene

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  • Identifiers

    CAS number
    829-39-0

    Molecular formula
    C11H14O2

    SMILES
    C/C=C/C1=C(C=C(C=C1)OC)OC

  • Odor profile

    Spicy 77.85%
    Sweet 72.52%
    Herbal 57.25%
    Floral 56.91%
    Anisic 43.11%
    Woody 42.95%
    Green 42.04%
    Clove 41.42%
    Phenolic 40.25%
    Warm 36.95%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.37 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point est.
    103.51 ˚C

  • Synonyms

    • 2,4-Dimethoxy-1-(1-propenyl)benzene
    • Benzene, 2,4-dimethoxy-1-(1-propenyl)-
    • 829-39-0
    • ghl.PD_Mitscher_leg0.56
    • SCHEMBL12090696
    • SKWTXGMULLCOGN-SNAWJCMRSA-N
    • 1-(2,5-dimethoxy)phenyl-1-propene
    • Benzene, 1-(E)-(1-propenyl)-2,4-dimethoxy

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 622.07
    methanol 485.81
    isopropanol 455.88
    water 0.43
    ethyl acetate 870.94
    n-propanol 536.86
    acetone 920.68
    n-butanol 459.07
    acetonitrile 810.71
    DMF 1130.27
    toluene 528.04
    isobutanol 357.06
    1,4-dioxane 1762.53
    methyl acetate 906.24
    THF 1400.33
    2-butanone 708.01
    n-pentanol 305.54
    sec-butanol 421.19
    n-hexane 81.33
    ethylene glycol 252.51
    NMP 730.72
    cyclohexane 270.34
    DMSO 1379.24
    n-butyl acetate 399.09
    n-octanol 151.04
    chloroform 3141.95
    n-propyl acetate 378.98
    acetic acid 549.66
    dichloromethane 3182.42
    cyclohexanone 935.52
    propylene glycol 318.72
    isopropyl acetate 289.38
    DMAc 724.66
    2-ethoxyethanol 570.3
    isopentanol 297.19
    n-heptane 85.65
    ethyl formate 647.71
    1,2-dichloroethane 2039.97
    n-hexanol 356.25
    2-methoxyethanol 1015.94
    isobutyl acetate 203.25
    tetrachloromethane 579.38
    n-pentyl acetate 203.39
    transcutol 822.77
    n-heptanol 143.75
    ethylbenzene 244.67
    MIBK 221.45
    2-propoxyethanol 542.67
    tert-butanol 570.4
    MTBE 473.59
    2-butoxyethanol 253.43
    propionic acid 525.9
    o-xylene 264.78
    formic acid 141.77
    diethyl ether 724.5
    m-xylene 270.68
    p-xylene 261.37
    chlorobenzene 673.28
    dimethyl carbonate 327.53
    n-octane 34.3
    formamide 319.98
    cyclopentanone 1003.81
    2-pentanone 531.32
    anisole 449.85
    cyclopentyl methyl ether 624.34
    gamma-butyrolactone 1168.64
    1-methoxy-2-propanol 601.14
    pyridine 1226.86
    3-pentanone 454.77
    furfural 949.86
    n-dodecane 27.21
    diethylene glycol 478.92
    diisopropyl ether 137.8
    tert-amyl alcohol 409.95
    acetylacetone 489.01
    n-hexadecane 31.94
    acetophenone 351.93
    methyl propionate 709.28
    isopentyl acetate 288.39
    trichloroethylene 3158.84
    n-nonanol 131.26
    cyclohexanol 568.34
    benzyl alcohol 364.17
    2-ethylhexanol 205.81
    isooctanol 116.21
    dipropyl ether 289.0
    1,2-dichlorobenzene 555.2
    ethyl lactate 200.98
    propylene carbonate 617.56
    n-methylformamide 615.12
    2-pentanol 273.71
    n-pentane 87.46
    1-propoxy-2-propanol 328.6
    1-methoxy-2-propyl acetate 337.93
    2-(2-methoxypropoxy) propanol 224.46
    mesitylene 158.31
    ε-caprolactone 733.09
    p-cymene 131.55
    epichlorohydrin 1655.86
    1,1,1-trichloroethane 1643.07
    2-aminoethanol 365.58
    morpholine-4-carbaldehyde 889.3
    sulfolane 1164.83
    2,2,4-trimethylpentane 42.8
    2-methyltetrahydrofuran 1016.15
    n-hexyl acetate 282.97
    isooctane 32.06
    2-(2-butoxyethoxy)ethanol 314.32
    sec-butyl acetate 210.64
    tert-butyl acetate 273.79
    decalin 88.81
    glycerin 358.71
    diglyme 662.23
    acrylic acid 443.76
    isopropyl myristate 119.19
    n-butyric acid 606.9
    acetyl acetate 426.19
    di(2-ethylhexyl) phthalate 121.83
    ethyl propionate 351.21
    nitromethane 1027.09
    1,2-diethoxyethane 374.62
    benzonitrile 475.31
    trioctyl phosphate 90.54
    1-bromopropane 973.66
    gamma-valerolactone 998.82
    n-decanol 103.61
    triethyl phosphate 163.08
    4-methyl-2-pentanol 124.8
    propionitrile 622.04
    vinylene carbonate 641.48
    1,1,2-trichlorotrifluoroethane 1025.29
    DMS 288.49
    cumene 142.36
    2-octanol 102.31
    2-hexanone 327.82
    octyl acetate 158.96
    limonene 196.57
    1,2-dimethoxyethane 917.84
    ethyl orthosilicate 155.53
    tributyl phosphate 111.47
    diacetone alcohol 328.81
    N,N-dimethylaniline 256.1
    acrylonitrile 720.53
    aniline 576.74
    1,3-propanediol 475.74
    bromobenzene 820.92
    dibromomethane 2107.92
    1,1,2,2-tetrachloroethane 2421.16
    2-methyl-cyclohexyl acetate 218.03
    tetrabutyl urea 139.36
    diisobutyl methanol 115.05
    2-phenylethanol 305.95
    styrene 348.24
    dioctyl adipate 181.25
    dimethyl sulfate 436.72
    ethyl butyrate 313.12
    methyl lactate 296.49
    butyl lactate 165.31
    diethyl carbonate 259.96
    propanediol butyl ether 216.02
    triethyl orthoformate 209.25
    p-tert-butyltoluene 126.78
    methyl 4-tert-butylbenzoate 242.79
    morpholine 1864.99
    tert-butylamine 337.57
    n-dodecanol 86.36
    dimethoxymethane 810.29
    ethylene carbonate 561.39
    cyrene 269.73
    2-ethoxyethyl acetate 296.45
    2-ethylhexyl acetate 244.27
    1,2,4-trichlorobenzene 653.68
    4-methylpyridine 928.2
    dibutyl ether 204.47
    2,6-dimethyl-4-heptanol 115.05
    DEF 610.18
    dimethyl isosorbide 384.1
    tetrachloroethylene 1426.01
    eugenol 247.03
    triacetin 264.45
    span 80 203.89
    1,4-butanediol 209.45
    1,1-dichloroethane 1761.99
    2-methyl-1-pentanol 246.3
    methyl formate 597.95
    2-methyl-1-butanol 328.0
    n-decane 42.92
    butyronitrile 594.96
    3,7-dimethyl-1-octanol 140.25
    1-chlorooctane 155.68
    1-chlorotetradecane 68.28
    n-nonane 44.79
    undecane 33.25
    tert-butylcyclohexane 69.13
    cyclooctane 84.98
    cyclopentanol 536.98
    tetrahydropyran 1483.04
    tert-amyl methyl ether 316.8
    2,5,8-trioxanonane 439.96
    1-hexene 231.4
    2-isopropoxyethanol 342.91
    2,2,2-trifluoroethanol 216.87
    methyl butyrate 480.19

    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

Botanical

Name CAS Botanical Proportion
Scandix australis Scandix australis L., fam. Apiaceae (Umbelliferae) 1.22%