4-Allyl-2-methoxyphenyl 2-methyl-2-butenoate

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  • Identifiers

    CAS number
    84812-70-4

    Molecular formula
    C15H18O3

    SMILES
    C/C=C(\C)/C(=O)OC1=C(C=C(C=C1)CC=C)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 66.76%
    Spicy 65.47%
    Woody 64.34%
    Fruity 59.53%
    Floral 58.57%
    Herbal 52.12%
    Green 46.04%
    Warm 43.87%
    Clove 41.17%
    Balsamic 37.65%

     

    Flavor
    Woody 43.54%
    Spicy 42.78%
    Sweet 40.69%
    Floral 40.52%
    Herbal 33.59%
    Spice 33.55%
    Fruity 32.15%
    Minty 26.08%
    Warm 24.93%
    Powdery 24.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.38 (neutral)

    Molecular weight
    246.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 133.14 ˚C est.

  • Synonyms

    • 4-Allyl-2-methoxyphenyl 2-methyl-2-butenoate
    • EINECS 284-214-1
    • 84812-70-4
    • 84812-70-4

  • Applications

    4-Allyl-2-methoxyphenyl 2-methyl-2-butenoate (CAS 84812-70-4) is an aromatic ester bearing an allyl and a methoxy substituent on the phenyl ring, viewed as an intermediate and building block in fragrance chemistry for the perfume and cosmetics sector. It is commonly used as a starting material for developing fragrance formulations and aroma compounds, and may also participate in coatings, inks, and adhesives formulations through the allyl group enabling further linking or derivatization. Additionally, it can serve as a building block for synthesis of specialty chemicals related to polymers/plastics and other industrial resin systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 837.49
    methanol 909.29
    isopropanol 484.62
    water 0.1
    ethyl acetate 3061.67
    n-propanol 825.95
    acetone 1738.39
    n-butanol 796.75
    acetonitrile 1611.41
    DMF 1781.23
    toluene 1477.14
    isobutanol 571.01
    1,4-dioxane 1482.25
    methyl acetate 2027.55
    THF 1622.83
    2-butanone 2148.3
    n-pentanol 444.78
    sec-butanol 880.61
    n-hexane 67.94
    ethylene glycol 63.19
    NMP 1198.59
    cyclohexane 191.67
    DMSO 1156.29
    n-butyl acetate 1008.57
    n-octanol 140.32
    chloroform 4190.32
    n-propyl acetate 1003.69
    acetic acid 878.26
    dichloromethane 4653.99
    cyclohexanone 1946.61
    propylene glycol 122.08
    isopropyl acetate 1202.99
    DMAc 1746.5
    2-ethoxyethanol 777.21
    isopentanol 692.71
    n-heptane 24.1
    ethyl formate 735.65
    1,2-dichloroethane 3567.16
    n-hexanol 449.61
    2-methoxyethanol 1233.75
    isobutyl acetate 481.98
    tetrachloromethane 352.91
    n-pentyl acetate 433.85
    transcutol 2238.29
    n-heptanol 161.18
    ethylbenzene 510.68
    MIBK 763.09
    2-propoxyethanol 727.21
    tert-butanol 782.32
    MTBE 1403.01
    2-butoxyethanol 355.24
    propionic acid 730.19
    o-xylene 604.84
    formic acid 207.32
    diethyl ether 2412.98
    m-xylene 626.98
    p-xylene 553.1
    chlorobenzene 1471.14
    dimethyl carbonate 660.42
    n-octane 14.3
    formamide 656.22
    cyclopentanone 1882.37
    2-pentanone 1818.3
    anisole 971.64
    cyclopentyl methyl ether 1172.5
    gamma-butyrolactone 1691.87
    1-methoxy-2-propanol 869.05
    pyridine 2546.45
    3-pentanone 1564.85
    furfural 1383.75
    n-dodecane 11.68
    diethylene glycol 416.21
    diisopropyl ether 391.43
    tert-amyl alcohol 976.28
    acetylacetone 1569.39
    n-hexadecane 14.28
    acetophenone 831.98
    methyl propionate 1954.69
    isopentyl acetate 800.87
    trichloroethylene 5726.65
    n-nonanol 132.78
    cyclohexanol 827.61
    benzyl alcohol 666.84
    2-ethylhexanol 270.61
    isooctanol 145.21
    dipropyl ether 308.48
    1,2-dichlorobenzene 1020.13
    ethyl lactate 265.57
    propylene carbonate 902.69
    n-methylformamide 875.72
    2-pentanol 680.13
    n-pentane 72.23
    1-propoxy-2-propanol 440.38
    1-methoxy-2-propyl acetate 782.76
    2-(2-methoxypropoxy) propanol 375.58
    mesitylene 286.85
    ε-caprolactone 1588.56
    p-cymene 157.67
    epichlorohydrin 2785.58
    1,1,1-trichloroethane 2291.61
    2-aminoethanol 221.68
    morpholine-4-carbaldehyde 1186.69
    sulfolane 1279.95
    2,2,4-trimethylpentane 54.44
    2-methyltetrahydrofuran 1692.27
    n-hexyl acetate 543.96
    isooctane 36.5
    2-(2-butoxyethoxy)ethanol 545.72
    sec-butyl acetate 723.87
    tert-butyl acetate 1012.2
    decalin 82.67
    glycerin 168.95
    diglyme 1151.99
    acrylic acid 604.96
    isopropyl myristate 179.81
    n-butyric acid 1075.99
    acetyl acetate 1263.48
    di(2-ethylhexyl) phthalate 155.28
    ethyl propionate 956.91
    nitromethane 2131.78
    1,2-diethoxyethane 934.8
    benzonitrile 861.78
    trioctyl phosphate 104.6
    1-bromopropane 1705.59
    gamma-valerolactone 1757.86
    n-decanol 95.02
    triethyl phosphate 222.77
    4-methyl-2-pentanol 291.99
    propionitrile 1204.48
    vinylene carbonate 869.26
    1,1,2-trichlorotrifluoroethane 1181.47
    DMS 652.87
    cumene 240.81
    2-octanol 126.79
    2-hexanone 828.37
    octyl acetate 227.45
    limonene 242.73
    1,2-dimethoxyethane 1277.6
    ethyl orthosilicate 217.98
    tributyl phosphate 155.61
    diacetone alcohol 816.31
    N,N-dimethylaniline 454.57
    acrylonitrile 1516.02
    aniline 1192.08
    1,3-propanediol 452.47
    bromobenzene 1666.87
    dibromomethane 2988.99
    1,1,2,2-tetrachloroethane 3980.2
    2-methyl-cyclohexyl acetate 380.8
    tetrabutyl urea 177.37
    diisobutyl methanol 149.64
    2-phenylethanol 528.56
    styrene 742.71
    dioctyl adipate 255.14
    dimethyl sulfate 720.9
    ethyl butyrate 588.18
    methyl lactate 379.09
    butyl lactate 252.67
    diethyl carbonate 414.88
    propanediol butyl ether 262.76
    triethyl orthoformate 328.83
    p-tert-butyltoluene 150.63
    methyl 4-tert-butylbenzoate 368.31
    morpholine 1990.41
    tert-butylamine 437.18
    n-dodecanol 71.11
    dimethoxymethane 1424.81
    ethylene carbonate 744.58
    cyrene 354.0
    2-ethoxyethyl acetate 702.08
    2-ethylhexyl acetate 630.95
    1,2,4-trichlorobenzene 1115.1
    4-methylpyridine 2466.86
    dibutyl ether 295.35
    2,6-dimethyl-4-heptanol 149.64
    DEF 1848.35
    dimethyl isosorbide 640.14
    tetrachloroethylene 2297.47
    eugenol 354.32
    triacetin 465.06
    span 80 260.44
    1,4-butanediol 151.32
    1,1-dichloroethane 2890.86
    2-methyl-1-pentanol 553.57
    methyl formate 637.75
    2-methyl-1-butanol 822.73
    n-decane 19.49
    butyronitrile 1095.4
    3,7-dimethyl-1-octanol 188.33
    1-chlorooctane 138.57
    1-chlorotetradecane 52.53
    n-nonane 17.31
    undecane 14.55
    tert-butylcyclohexane 64.26
    cyclooctane 50.85
    cyclopentanol 527.25
    tetrahydropyran 1955.61
    tert-amyl methyl ether 1117.25
    2,5,8-trioxanonane 670.36
    1-hexene 338.71
    2-isopropoxyethanol 537.96
    2,2,2-trifluoroethanol 257.51
    methyl butyrate 1127.22

    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