2-Methoxy-1-methyl-4-(prop-1-en-2-yl)benzene

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  • Identifiers

    CAS number
    3794-96-5

    Molecular formula
    C11H14O

    SMILES
    CC1=C(C=C(C=C1)C(=C)C)OC

  • Odor profile

    Fragrance
    Herbal 73.59%
    Spicy 63.94%
    Sweet 52.05%
    Woody 50.34%
    Phenolic 47.12%
    Citrus 43.52%
    Floral 42.23%
    Terpenic 37.95%
    Earthy 37.73%
    Musty 37.41%

     

    Flavor
    Herbal 47.71%
    Spicy 44.32%
    Woody 41.88%
    Phenolic 32.54%
    Spice 29.36%
    Camphor 27.31%
    Minty 26.56%
    Floral 23.99%
    Citrus 23.48%
    Guaiacol 23.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.49 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 80.48 ˚C est.

  • Synonyms

    • 2-methoxy-1-methyl-4-(prop-1-en-2-yl)benzene
    • 3794-96-5
    • SCHEMBL11611523
    • DTXSID40628343

  • Applications

    2-Methoxy-1-methyl-4-(prop-1-en-2-yl)benzene (CAS 3794-96-5) is regarded as an aroma chemical and a synthetic building block in a range of industrial formulations; in the fragrance and cosmetics sectors it often serves as a base note or a mid-note component and as a precursor to more complex aroma compounds; in food processing (where permitted) it may be evaluated as a flavor/aroma ingredient; in household cleaning products and other consumer goods it can be added to impart scent; in coatings, inks and paints it may function as an aroma additive or a fragrance-linked component within resin systems; in polymers and plastics it can act as a precursor for aromatic monomers or as a flavor/scent-related additive; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 762.17
    methanol 528.78
    isopropanol 555.01
    water 0.82
    ethyl acetate 799.47
    n-propanol 678.04
    acetone 420.45
    n-butanol 686.59
    acetonitrile 894.74
    DMF 419.6
    toluene 636.81
    isobutanol 440.92
    1,4-dioxane 1875.93
    methyl acetate 679.58
    THF 1207.43
    2-butanone 640.87
    n-pentanol 447.49
    sec-butanol 617.36
    n-hexane 91.89
    ethylene glycol 92.23
    NMP 245.51
    cyclohexane 204.02
    DMSO 338.07
    n-butyl acetate 634.79
    n-octanol 254.02
    chloroform 2583.87
    n-propyl acetate 403.96
    acetic acid 401.07
    dichloromethane 2330.39
    cyclohexanone 632.24
    propylene glycol 169.22
    isopropyl acetate 306.71
    DMAc 359.32
    2-ethoxyethanol 533.78
    isopentanol 469.9
    n-heptane 149.06
    ethyl formate 580.81
    1,2-dichloroethane 1040.32
    n-hexanol 606.65
    2-methoxyethanol 739.64
    isobutyl acetate 237.14
    tetrachloromethane 464.96
    n-pentyl acetate 286.91
    transcutol 1074.34
    n-heptanol 262.78
    ethylbenzene 328.81
    MIBK 226.96
    2-propoxyethanol 647.86
    tert-butanol 646.22
    MTBE 598.0
    2-butoxyethanol 366.32
    propionic acid 351.02
    o-xylene 292.39
    formic acid 112.78
    diethyl ether 846.78
    m-xylene 297.46
    p-xylene 393.35
    chlorobenzene 572.48
    dimethyl carbonate 155.48
    n-octane 52.69
    formamide 242.75
    cyclopentanone 518.85
    2-pentanone 437.09
    anisole 551.67
    cyclopentyl methyl ether 443.38
    gamma-butyrolactone 588.21
    1-methoxy-2-propanol 492.72
    pyridine 1295.27
    3-pentanone 342.64
    furfural 661.73
    n-dodecane 36.71
    diethylene glycol 321.48
    diisopropyl ether 159.82
    tert-amyl alcohol 566.31
    acetylacetone 340.04
    n-hexadecane 42.25
    acetophenone 358.28
    methyl propionate 431.29
    isopentyl acetate 453.84
    trichloroethylene 1826.61
    n-nonanol 228.87
    cyclohexanol 493.0
    benzyl alcohol 413.99
    2-ethylhexanol 374.1
    isooctanol 195.01
    dipropyl ether 500.68
    1,2-dichlorobenzene 435.71
    ethyl lactate 151.2
    propylene carbonate 415.93
    n-methylformamide 328.98
    2-pentanol 412.55
    n-pentane 97.84
    1-propoxy-2-propanol 454.17
    1-methoxy-2-propyl acetate 370.69
    2-(2-methoxypropoxy) propanol 298.93
    mesitylene 166.01
    ε-caprolactone 584.39
    p-cymene 212.13
    epichlorohydrin 1059.23
    1,1,1-trichloroethane 1111.79
    2-aminoethanol 240.18
    morpholine-4-carbaldehyde 553.99
    sulfolane 374.15
    2,2,4-trimethylpentane 49.46
    2-methyltetrahydrofuran 1036.98
    n-hexyl acetate 377.04
    isooctane 37.03
    2-(2-butoxyethoxy)ethanol 433.89
    sec-butyl acetate 253.23
    tert-butyl acetate 284.09
    decalin 79.5
    glycerin 177.31
    diglyme 849.51
    acrylic acid 244.18
    isopropyl myristate 160.16
    n-butyric acid 607.06
    acetyl acetate 357.48
    di(2-ethylhexyl) phthalate 142.46
    ethyl propionate 330.29
    nitromethane 588.27
    1,2-diethoxyethane 604.64
    benzonitrile 584.69
    trioctyl phosphate 99.57
    1-bromopropane 836.51
    gamma-valerolactone 725.89
    n-decanol 171.81
    triethyl phosphate 171.61
    4-methyl-2-pentanol 181.98
    propionitrile 762.17
    vinylene carbonate 484.87
    1,1,2-trichlorotrifluoroethane 485.26
    DMS 228.19
    cumene 196.02
    2-octanol 170.73
    2-hexanone 351.5
    octyl acetate 202.0
    limonene 272.41
    1,2-dimethoxyethane 1022.09
    ethyl orthosilicate 183.58
    tributyl phosphate 119.75
    diacetone alcohol 296.97
    N,N-dimethylaniline 304.67
    acrylonitrile 683.82
    aniline 571.26
    1,3-propanediol 427.69
    bromobenzene 664.8
    dibromomethane 1622.86
    1,1,2,2-tetrachloroethane 1196.52
    2-methyl-cyclohexyl acetate 291.95
    tetrabutyl urea 147.91
    diisobutyl methanol 178.22
    2-phenylethanol 435.63
    styrene 423.83
    dioctyl adipate 220.97
    dimethyl sulfate 135.44
    ethyl butyrate 438.71
    methyl lactate 144.25
    butyl lactate 173.56
    diethyl carbonate 308.81
    propanediol butyl ether 239.15
    triethyl orthoformate 290.28
    p-tert-butyltoluene 202.82
    methyl 4-tert-butylbenzoate 269.98
    morpholine 1786.69
    tert-butylamine 461.6
    n-dodecanol 133.56
    dimethoxymethane 466.99
    ethylene carbonate 409.03
    cyrene 232.3
    2-ethoxyethyl acetate 404.48
    2-ethylhexyl acetate 382.84
    1,2,4-trichlorobenzene 476.66
    4-methylpyridine 1029.27
    dibutyl ether 326.67
    2,6-dimethyl-4-heptanol 178.22
    DEF 385.46
    dimethyl isosorbide 476.19
    tetrachloroethylene 748.48
    eugenol 270.31
    triacetin 271.17
    span 80 267.9
    1,4-butanediol 155.44
    1,1-dichloroethane 1130.88
    2-methyl-1-pentanol 377.58
    methyl formate 252.9
    2-methyl-1-butanol 462.7
    n-decane 63.57
    butyronitrile 856.47
    3,7-dimethyl-1-octanol 227.76
    1-chlorooctane 204.68
    1-chlorotetradecane 83.92
    n-nonane 63.42
    undecane 46.49
    tert-butylcyclohexane 78.77
    cyclooctane 60.27
    cyclopentanol 410.68
    tetrahydropyran 1541.01
    tert-amyl methyl ether 390.89
    2,5,8-trioxanonane 549.89
    1-hexene 309.66
    2-isopropoxyethanol 353.47
    2,2,2-trifluoroethanol 124.11
    methyl butyrate 433.7

    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