3-(3,5-Dimethoxyphenyl)-1-propene

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  • Identifiers

    CAS number
    64118-89-4

    Molecular formula
    C11H14O2

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

  • Odor profile

    Sweet 71.41%
    Spicy 68.07%
    Floral 57.35%
    Woody 52.8%
    Fruity 48.54%
    Herbal 41.42%
    Clove 36.6%
    Warm 35.7%
    Balsamic 34.81%
    Green 34.21%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.39 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    97.44 ˚C

  • Synonyms

    • 3-(3,5-DIMETHOXYPHENYL)-1-PROPENE
    • 64118-89-4
    • 1,3-dimethoxy-5-prop-2-enylbenzene
    • 1-Allyl-3,5-dimethoxybenzene
    • 3,5-Dimethoxyallylbenzene
    • Benzene, 1,3-dimethoxy-5-(2-propenyl)
    • MFCD09801195
    • 5-Allyl-1,3-dimethoxybenzene
    • SCHEMBL1514243
    • CHEBI:81334
    • DTXSID50335374
    • BDBM192756
    • 1-Allyl-3,5-dimethoxybenzene (2)
    • AKOS006328615
    • DB-293546
    • C17782
    • 1,3-DIMETHOXY-5-(PROP-2-EN-1-YL)BENZENE
    • Q27155273

  • Applications

    3-(3,5-Dimethoxyphenyl)-1-propene (CAS 64118-89-4) is an electron-rich allylbenzene used primarily as a versatile synthetic building block: a precursor to 3,5-dimethoxyphenyl propanol/propionic acid/epoxide and related derivatives via standard alkene manipulations (hydroboration-oxidation, epoxidation, dihydroxylation, ozonolysis, thiol-ene), an intermediate en route to pharmaceuticals, agrochemicals, and functional organic materials bearing the 3,5-dimethoxyphenyl motif, a model substrate in method development (selective allylic/benzylic oxidation, coupling, metathesis, hydrofunctionalization) and in structure-property studies of phenylpropenes; it is also used as a reference/impurity marker for GC/LC-MS and as an aromatic pendant for surface or polymer modification via thiol-ene click chemistry; additionally, owing to its methoxy-substituted ring, it appears in fragrance/odor research as a structural analog to screen and tune allylbenzene odor profiles, while any direct use as a commercial additive remains subject to safety and regulatory evaluation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 360.27
    methanol 323.95
    isopropanol 262.22
    water 1.01
    ethyl acetate 281.76
    n-propanol 314.42
    acetone 383.01
    n-butanol 252.87
    acetonitrile 260.95
    DMF 648.18
    toluene 151.16
    isobutanol 210.98
    1,4-dioxane 735.97
    methyl acetate 324.66
    THF 704.3
    2-butanone 253.12
    n-pentanol 149.09
    sec-butanol 217.97
    n-hexane 27.93
    ethylene glycol 226.87
    NMP 394.36
    cyclohexane 106.22
    DMSO 681.48
    n-butyl acetate 142.41
    n-octanol 92.48
    chloroform 1201.04
    n-propyl acetate 135.35
    acetic acid 342.18
    dichloromethane 968.32
    cyclohexanone 408.76
    propylene glycol 323.63
    isopropyl acetate 118.72
    DMAc 429.24
    2-ethoxyethanol 308.92
    isopentanol 159.45
    n-heptane 34.81
    ethyl formate 241.4
    1,2-dichloroethane 580.24
    n-hexanol 191.83
    2-methoxyethanol 585.86
    isobutyl acetate 97.26
    tetrachloromethane 195.2
    n-pentyl acetate 84.87
    transcutol 468.02
    n-heptanol 83.26
    ethylbenzene 86.88
    MIBK 109.3
    2-propoxyethanol 312.0
    tert-butanol 334.35
    MTBE 191.23
    2-butoxyethanol 150.19
    propionic acid 293.11
    o-xylene 110.16
    formic acid 103.73
    diethyl ether 220.43
    m-xylene 106.59
    p-xylene 105.48
    chlorobenzene 248.52
    dimethyl carbonate 150.4
    n-octane 15.28
    formamide 156.69
    cyclopentanone 472.22
    2-pentanone 190.15
    anisole 190.37
    cyclopentyl methyl ether 264.48
    gamma-butyrolactone 521.5
    1-methoxy-2-propanol 390.41
    pyridine 432.47
    3-pentanone 168.15
    furfural 474.16
    n-dodecane 15.06
    diethylene glycol 355.44
    diisopropyl ether 54.62
    tert-amyl alcohol 218.79
    acetylacetone 232.77
    n-hexadecane 16.99
    acetophenone 165.05
    methyl propionate 264.13
    isopentyl acetate 127.99
    trichloroethylene 1029.57
    n-nonanol 82.27
    cyclohexanol 298.6
    benzyl alcohol 179.87
    2-ethylhexanol 106.65
    isooctanol 67.73
    dipropyl ether 116.79
    1,2-dichlorobenzene 227.01
    ethyl lactate 116.36
    propylene carbonate 316.0
    n-methylformamide 293.63
    2-pentanol 137.45
    n-pentane 30.99
    1-propoxy-2-propanol 185.85
    1-methoxy-2-propyl acetate 173.22
    2-(2-methoxypropoxy) propanol 151.55
    mesitylene 72.27
    ε-caprolactone 324.12
    p-cymene 63.38
    epichlorohydrin 622.21
    1,1,1-trichloroethane 527.86
    2-aminoethanol 281.34
    morpholine-4-carbaldehyde 425.74
    sulfolane 562.95
    2,2,4-trimethylpentane 22.16
    2-methyltetrahydrofuran 402.38
    n-hexyl acetate 139.79
    isooctane 16.48
    2-(2-butoxyethoxy)ethanol 205.77
    sec-butyl acetate 89.29
    tert-butyl acetate 135.48
    decalin 39.41
    glycerin 348.24
    diglyme 393.07
    acrylic acid 272.7
    isopropyl myristate 68.7
    n-butyric acid 315.37
    acetyl acetate 186.25
    di(2-ethylhexyl) phthalate 76.6
    ethyl propionate 132.82
    nitromethane 468.28
    1,2-diethoxyethane 147.19
    benzonitrile 192.22
    trioctyl phosphate 57.63
    1-bromopropane 271.84
    gamma-valerolactone 482.15
    n-decanol 65.49
    triethyl phosphate 88.73
    4-methyl-2-pentanol 75.19
    propionitrile 227.28
    vinylene carbonate 319.55
    1,1,2-trichlorotrifluoroethane 528.79
    DMS 154.9
    cumene 67.07
    2-octanol 57.76
    2-hexanone 125.85
    octyl acetate 87.02
    limonene 92.26
    1,2-dimethoxyethane 420.99
    ethyl orthosilicate 83.11
    tributyl phosphate 67.59
    diacetone alcohol 185.23
    N,N-dimethylaniline 128.26
    acrylonitrile 287.45
    aniline 217.8
    1,3-propanediol 345.89
    bromobenzene 269.15
    dibromomethane 624.66
    1,1,2,2-tetrachloroethane 889.32
    2-methyl-cyclohexyl acetate 118.97
    tetrabutyl urea 89.11
    diisobutyl methanol 66.71
    2-phenylethanol 159.31
    styrene 114.73
    dioctyl adipate 106.0
    dimethyl sulfate 240.26
    ethyl butyrate 125.81
    methyl lactate 190.6
    butyl lactate 95.55
    diethyl carbonate 112.42
    propanediol butyl ether 157.11
    triethyl orthoformate 96.91
    p-tert-butyltoluene 62.29
    methyl 4-tert-butylbenzoate 146.12
    morpholine 725.2
    tert-butylamine 178.86
    n-dodecanol 54.71
    dimethoxymethane 392.58
    ethylene carbonate 266.69
    cyrene 180.08
    2-ethoxyethyl acetate 128.85
    2-ethylhexyl acetate 103.58
    1,2,4-trichlorobenzene 282.63
    4-methylpyridine 319.64
    dibutyl ether 90.87
    2,6-dimethyl-4-heptanol 66.71
    DEF 245.06
    dimethyl isosorbide 244.6
    tetrachloroethylene 545.32
    eugenol 144.99
    triacetin 155.49
    span 80 139.76
    1,4-butanediol 154.19
    1,1-dichloroethane 511.13
    2-methyl-1-pentanol 120.98
    methyl formate 283.01
    2-methyl-1-butanol 170.28
    n-decane 21.55
    butyronitrile 204.79
    3,7-dimethyl-1-octanol 84.27
    1-chlorooctane 72.54
    1-chlorotetradecane 36.75
    n-nonane 21.5
    undecane 17.51
    tert-butylcyclohexane 33.23
    cyclooctane 30.64
    cyclopentanol 302.42
    tetrahydropyran 558.11
    tert-amyl methyl ether 142.19
    2,5,8-trioxanonane 282.66
    1-hexene 84.74
    2-isopropoxyethanol 188.66
    2,2,2-trifluoroethanol 144.29
    methyl butyrate 183.54

    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 (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%