1-Allyl-2,4-dimethoxybenzene

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  • Identifiers

    CAS number
    O3698-23-5

    Molecular formula
    C11H14O2

    SMILES
    COC1=CC(=C(C=C1)CC=C)OC

  • Odor profile

    Fragrance
    Spicy 76.28%
    Sweet 67.43%
    Herbal 66.79%
    Woody 47.35%
    Green 44.6%
    Phenolic 44.1%
    Floral 41.89%
    Anisic 38.69%
    Warm 38.42%
    Clove 38.05%

     

    Flavor
    Sweet 58.1%
    Spicy 54.83%
    Floral 46.16%
    Spice 45.4%
    Green 40.87%
    Herbal 39.23%
    Balsam 38.25%
    Fruity 37.75%
    Clove 36.52%
    Anise 34.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.49 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 98.0 ˚C est.

  • Synonyms

    • 3698-23-5
    • 1-Allyl-2,4-dimethoxybenzene
    • 3-(2,4-DIMETHOXYPHENYL)-1-PROPENE
    • 2,4-dimethoxy-1-prop-2-enylbenzene
    • Osmorhizole
    • 2,4-dimethoxy-1-prop-2-enyl-benzene
    • Benzene, 1-allyl-2,4-dimethoxy-
    • 2,4-dimethoxy-1-(prop-2-en-1-yl)benzene
    • MFCD09801175
    • osmorhizol
    • A2J2TKC7B4
    • SCHEMBL2845262
    • 1-Allyl-2,4-dimethoxy-Benzene
    • DTXSID70190467
    • CHEBI:173832
    • HZLYHZSHPUFYAR-UHFFFAOYSA-N
    • BDBM192758
    • 1-Allyl-2,4-dimethoxybenzene (4)
    • 1-Allyl-2,4-dimethoxybenzene (5)
    • 1-Allyl-2,4-dimethoxybenzene, 8CI
    • AKOS006328184
    • 2,4-Dimethoxy-1-(2-propen-1-yl)benzene
    • DB-182576
    • 2,4-Dimethoxy-1-(2-propenyl)benzene, 9CI
    • Benzene, 2,4-dimethoxy-1-(2-propen-1-yl)-
    • G76354

  • Applications

    1-Allyl-2,4-dimethoxybenzene (CAS number: O3698-23-5) is used in fragrance chemistry as an odorant and as an intermediate for the synthesis of aroma compounds, commonly employed as a fragrance ingredient in perfumery formulations and as a precursor to methoxy-substituted aroma molecules. In cosmetics and personal care, it may function as a fragrance component, while in household products it contributes to scent in cleaners and air fresheners. In industrial manufacturing, it is evaluated as a starting material for the synthesis of specialty aromatic compounds, and in certain contexts may act as a functional monomer or additive in polymer or coating formulations under appropriate formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 550.92
    methanol 446.33
    isopropanol 380.2
    water 0.41
    ethyl acetate 640.51
    n-propanol 473.63
    acetone 514.48
    n-butanol 404.87
    acetonitrile 570.49
    DMF 659.5
    toluene 361.97
    isobutanol 315.2
    1,4-dioxane 1444.82
    methyl acetate 628.79
    THF 1005.08
    2-butanone 482.53
    n-pentanol 273.01
    sec-butanol 359.98
    n-hexane 46.11
    ethylene glycol 192.6
    NMP 400.1
    cyclohexane 179.44
    DMSO 930.25
    n-butyl acetate 313.38
    n-octanol 117.72
    chloroform 2193.4
    n-propyl acetate 286.3
    acetic acid 428.97
    dichloromethane 2199.29
    cyclohexanone 608.49
    propylene glycol 258.98
    isopropyl acetate 210.74
    DMAc 472.31
    2-ethoxyethanol 504.73
    isopentanol 261.91
    n-heptane 60.54
    ethyl formate 479.88
    1,2-dichloroethane 1315.35
    n-hexanol 311.17
    2-methoxyethanol 816.11
    isobutyl acetate 158.88
    tetrachloromethane 378.79
    n-pentyl acetate 143.11
    transcutol 766.33
    n-heptanol 117.02
    ethylbenzene 174.38
    MIBK 160.3
    2-propoxyethanol 480.28
    tert-butanol 476.41
    MTBE 360.55
    2-butoxyethanol 213.29
    propionic acid 384.64
    o-xylene 197.64
    formic acid 122.2
    diethyl ether 520.13
    m-xylene 193.11
    p-xylene 193.37
    chlorobenzene 456.62
    dimethyl carbonate 199.44
    n-octane 23.08
    formamide 242.37
    cyclopentanone 590.76
    2-pentanone 329.83
    anisole 326.8
    cyclopentyl methyl ether 424.39
    gamma-butyrolactone 727.82
    1-methoxy-2-propanol 475.51
    pyridine 868.47
    3-pentanone 281.59
    furfural 656.77
    n-dodecane 19.81
    diethylene glycol 402.18
    diisopropyl ether 98.6
    tert-amyl alcohol 340.61
    acetylacetone 324.99
    n-hexadecane 23.08
    acetophenone 259.64
    methyl propionate 453.32
    isopentyl acetate 233.26
    trichloroethylene 1979.92
    n-nonanol 103.63
    cyclohexanol 431.94
    benzyl alcohol 301.47
    2-ethylhexanol 177.22
    isooctanol 93.27
    dipropyl ether 230.95
    1,2-dichlorobenzene 369.93
    ethyl lactate 151.19
    propylene carbonate 427.92
    n-methylformamide 385.73
    2-pentanol 228.06
    n-pentane 53.73
    1-propoxy-2-propanol 274.98
    1-methoxy-2-propyl acetate 266.27
    2-(2-methoxypropoxy) propanol 194.55
    mesitylene 113.2
    ε-caprolactone 515.79
    p-cymene 98.73
    epichlorohydrin 1160.29
    1,1,1-trichloroethane 1045.78
    2-aminoethanol 294.78
    morpholine-4-carbaldehyde 605.57
    sulfolane 687.67
    2,2,4-trimethylpentane 30.86
    2-methyltetrahydrofuran 735.33
    n-hexyl acetate 200.83
    isooctane 22.67
    2-(2-butoxyethoxy)ethanol 280.13
    sec-butyl acetate 160.55
    tert-butyl acetate 207.51
    decalin 61.47
    glycerin 281.63
    diglyme 558.58
    acrylic acid 309.41
    isopropyl myristate 89.22
    n-butyric acid 461.15
    acetyl acetate 304.64
    di(2-ethylhexyl) phthalate 94.99
    ethyl propionate 248.51
    nitromethane 692.12
    1,2-diethoxyethane 321.8
    benzonitrile 361.31
    trioctyl phosphate 68.01
    1-bromopropane 656.46
    gamma-valerolactone 678.94
    n-decanol 82.41
    triethyl phosphate 125.79
    4-methyl-2-pentanol 100.17
    propionitrile 460.58
    vinylene carbonate 452.19
    1,1,2-trichlorotrifluoroethane 687.27
    DMS 201.26
    cumene 105.02
    2-octanol 78.83
    2-hexanone 237.14
    octyl acetate 114.68
    limonene 152.03
    1,2-dimethoxyethane 755.07
    ethyl orthosilicate 123.24
    tributyl phosphate 86.98
    diacetone alcohol 246.48
    N,N-dimethylaniline 186.38
    acrylonitrile 509.76
    aniline 419.78
    1,3-propanediol 408.64
    bromobenzene 540.05
    dibromomethane 1421.49
    1,1,2,2-tetrachloroethane 1525.28
    2-methyl-cyclohexyl acetate 173.53
    tetrabutyl urea 108.09
    diisobutyl methanol 97.44
    2-phenylethanol 255.15
    styrene 235.81
    dioctyl adipate 138.8
    dimethyl sulfate 252.56
    ethyl butyrate 237.79
    methyl lactate 205.73
    butyl lactate 126.05
    diethyl carbonate 198.4
    propanediol butyl ether 181.61
    triethyl orthoformate 166.19
    p-tert-butyltoluene 94.46
    methyl 4-tert-butylbenzoate 185.47
    morpholine 1491.05
    tert-butylamine 281.63
    n-dodecanol 68.83
    dimethoxymethane 566.15
    ethylene carbonate 396.66
    cyrene 206.13
    2-ethoxyethyl acetate 223.65
    2-ethylhexyl acetate 189.26
    1,2,4-trichlorobenzene 437.79
    4-methylpyridine 647.85
    dibutyl ether 157.24
    2,6-dimethyl-4-heptanol 97.44
    DEF 392.43
    dimethyl isosorbide 311.17
    tetrachloroethylene 936.0
    eugenol 192.69
    triacetin 195.13
    span 80 169.35
    1,4-butanediol 178.71
    1,1-dichloroethane 1135.82
    2-methyl-1-pentanol 215.34
    methyl formate 376.42
    2-methyl-1-butanol 269.13
    n-decane 30.75
    butyronitrile 444.44
    3,7-dimethyl-1-octanol 114.55
    1-chlorooctane 108.64
    1-chlorotetradecane 49.64
    n-nonane 30.46
    undecane 23.89
    tert-butylcyclohexane 48.87
    cyclooctane 53.44
    cyclopentanol 399.93
    tetrahydropyran 1121.63
    tert-amyl methyl ether 236.24
    2,5,8-trioxanonane 379.22
    1-hexene 161.95
    2-isopropoxyethanol 298.58
    2,2,2-trifluoroethanol 154.04
    methyl butyrate 343.99

    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
Chervil (The Netherlands) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 22.3%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 20.0%
Chervil (Turkey) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 15.15%