4-Allyl-2-methoxyphenyl 2-methylbutyrate

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  • Identifiers

    CAS number
    84731-73-7

    Molecular formula
    C15H20O3

    SMILES
    CCC(C)C(=O)OC1=C(C=C(C=C1)CC=C)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.8%
    Spicy 56.89%
    Sweet 56.02%
    Woody 52.65%
    Herbal 40.57%
    Floral 40.25%
    Berry 38.76%
    Dry 35.2%
    Warm 34.91%
    Balsamic 32.32%

     

    Flavor
    Fruity 55.09%
    Sweet 37.58%
    Woody 33.65%
    Floral 33.42%
    Spicy 29.33%
    Herbal 29.25%
    Spice 28.47%
    Berry 26.83%
    Warm 25.32%
    Tropical 24.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.28 (neutral)

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 127.97 ˚C est.

  • Synonyms

    • 4-Allyl-2-methoxyphenyl 2-methylbutyrate
    • 84731-73-7
    • EINECS 283-832-9
    • DTXSID401005035
    • 2-METHOXY-4-(PROP-2-EN-1-YL)PHENYL 2-METHYLBUTANOATE
    • NS00059163
    • Butanoic acid, 2-methyl-, 2-methoxy-4-(2-propenyl)phenyl ester
    • 84731-73-7

  • Applications

    4-Allyl-2-methoxyphenyl 2-methylbutyrate (CAS 84731-73-7) is considered a fragrance ingredient and may be used as a synthetic intermediate for aroma compounds; its aryl-allyl moiety can contribute to modest fragrance fixation in formulations; in cosmetics and personal care it may serve as a fragrance component; in household products such as cleaners and air fresheners it may be included to impart scent; in industrial manufacturing it is evaluated as an intermediate for fragrance synthesis; in coatings and inks it may be used as a fragrance additive to provide odor.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2928.85
    methanol 3340.05
    isopropanol 1618.03
    water 0.39
    ethyl acetate 6501.89
    n-propanol 2607.07
    acetone 4818.14
    n-butanol 2290.59
    acetonitrile 4326.82
    DMF 4501.17
    toluene 2135.75
    isobutanol 1752.37
    1,4-dioxane 3312.41
    methyl acetate 4386.34
    THF 3085.38
    2-butanone 4339.42
    n-pentanol 1173.03
    sec-butanol 2324.02
    n-hexane 117.87
    ethylene glycol 227.97
    NMP 2700.0
    cyclohexane 369.47
    DMSO 3061.1
    n-butyl acetate 2275.98
    n-octanol 326.25
    chloroform 7223.97
    n-propyl acetate 2106.58
    acetic acid 2611.94
    dichloromethane 8297.55
    cyclohexanone 4122.41
    propylene glycol 410.06
    isopropyl acetate 2604.8
    DMAc 3385.86
    2-ethoxyethanol 1807.06
    isopentanol 1753.96
    n-heptane 37.76
    ethyl formate 2024.51
    1,2-dichloroethane 6495.34
    n-hexanol 1037.93
    2-methoxyethanol 3070.58
    isobutyl acetate 980.53
    tetrachloromethane 692.07
    n-pentyl acetate 937.92
    transcutol 4546.26
    n-heptanol 353.12
    ethylbenzene 781.48
    MIBK 1542.49
    2-propoxyethanol 1587.18
    tert-butanol 2019.5
    MTBE 3016.71
    2-butoxyethanol 745.77
    propionic acid 1923.82
    o-xylene 928.76
    formic acid 636.62
    diethyl ether 4603.5
    m-xylene 1009.59
    p-xylene 949.45
    chlorobenzene 2659.62
    dimethyl carbonate 1234.21
    n-octane 24.32
    formamide 1705.48
    cyclopentanone 3769.01
    2-pentanone 3900.13
    anisole 1587.75
    cyclopentyl methyl ether 2119.65
    gamma-butyrolactone 3641.96
    1-methoxy-2-propanol 2071.49
    pyridine 4390.76
    3-pentanone 2791.88
    furfural 2804.58
    n-dodecane 21.38
    diethylene glycol 983.11
    diisopropyl ether 762.66
    tert-amyl alcohol 2313.4
    acetylacetone 3293.08
    n-hexadecane 26.0
    acetophenone 1412.28
    methyl propionate 3925.82
    isopentyl acetate 1732.7
    trichloroethylene 9887.1
    n-nonanol 292.08
    cyclohexanol 1949.27
    benzyl alcohol 1261.17
    2-ethylhexanol 579.26
    isooctanol 306.41
    dipropyl ether 569.4
    1,2-dichlorobenzene 1846.01
    ethyl lactate 547.26
    propylene carbonate 2061.74
    n-methylformamide 2406.98
    2-pentanol 1720.1
    n-pentane 137.77
    1-propoxy-2-propanol 1001.31
    1-methoxy-2-propyl acetate 1538.91
    2-(2-methoxypropoxy) propanol 614.89
    mesitylene 464.02
    ε-caprolactone 3438.49
    p-cymene 271.48
    epichlorohydrin 5365.71
    1,1,1-trichloroethane 4194.51
    2-aminoethanol 727.85
    morpholine-4-carbaldehyde 2478.42
    sulfolane 2711.22
    2,2,4-trimethylpentane 97.64
    2-methyltetrahydrofuran 3302.1
    n-hexyl acetate 1114.3
    isooctane 63.87
    2-(2-butoxyethoxy)ethanol 992.24
    sec-butyl acetate 1335.53
    tert-butyl acetate 1959.08
    decalin 145.46
    glycerin 469.45
    diglyme 2049.5
    acrylic acid 1482.25
    isopropyl myristate 328.75
    n-butyric acid 3070.09
    acetyl acetate 2607.41
    di(2-ethylhexyl) phthalate 281.15
    ethyl propionate 1824.86
    nitromethane 5301.8
    1,2-diethoxyethane 1805.8
    benzonitrile 1735.49
    trioctyl phosphate 202.08
    1-bromopropane 3107.74
    gamma-valerolactone 3792.79
    n-decanol 203.32
    triethyl phosphate 385.64
    4-methyl-2-pentanol 643.89
    propionitrile 2821.13
    vinylene carbonate 1975.42
    1,1,2-trichlorotrifluoroethane 2363.57
    DMS 1145.14
    cumene 392.08
    2-octanol 270.18
    2-hexanone 1609.14
    octyl acetate 432.1
    limonene 433.58
    1,2-dimethoxyethane 2638.82
    ethyl orthosilicate 368.37
    tributyl phosphate 300.2
    diacetone alcohol 1617.19
    N,N-dimethylaniline 721.86
    acrylonitrile 3386.91
    aniline 2107.33
    1,3-propanediol 1379.83
    bromobenzene 2977.8
    dibromomethane 5338.66
    1,1,2,2-tetrachloroethane 7160.89
    2-methyl-cyclohexyl acetate 681.6
    tetrabutyl urea 337.93
    diisobutyl methanol 291.88
    2-phenylethanol 991.52
    styrene 1126.54
    dioctyl adipate 444.83
    dimethyl sulfate 1304.6
    ethyl butyrate 1199.98
    methyl lactate 822.45
    butyl lactate 552.68
    diethyl carbonate 783.34
    propanediol butyl ether 612.2
    triethyl orthoformate 591.42
    p-tert-butyltoluene 248.38
    methyl 4-tert-butylbenzoate 613.38
    morpholine 4303.37
    tert-butylamine 1111.13
    n-dodecanol 147.7
    dimethoxymethane 2796.5
    ethylene carbonate 1785.95
    cyrene 625.36
    2-ethoxyethyl acetate 1436.59
    2-ethylhexyl acetate 1276.05
    1,2,4-trichlorobenzene 1961.89
    4-methylpyridine 4527.39
    dibutyl ether 580.73
    2,6-dimethyl-4-heptanol 291.88
    DEF 3878.0
    dimethyl isosorbide 1043.15
    tetrachloroethylene 4199.61
    eugenol 612.93
    triacetin 817.13
    span 80 486.94
    1,4-butanediol 461.86
    1,1-dichloroethane 5789.56
    2-methyl-1-pentanol 1242.66
    methyl formate 1717.67
    2-methyl-1-butanol 2097.92
    n-decane 35.93
    butyronitrile 2749.65
    3,7-dimethyl-1-octanol 400.32
    1-chlorooctane 277.67
    1-chlorotetradecane 95.21
    n-nonane 32.21
    undecane 26.68
    tert-butylcyclohexane 111.66
    cyclooctane 83.9
    cyclopentanol 1432.34
    tetrahydropyran 4049.21
    tert-amyl methyl ether 2070.24
    2,5,8-trioxanonane 1121.32
    1-hexene 650.01
    2-isopropoxyethanol 1178.95
    2,2,2-trifluoroethanol 711.73
    methyl butyrate 2409.65

    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