(E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate

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  • Identifiers

    CAS number
    76236-22-1

    Molecular formula
    C15H20O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.57%
    Sweet 67.51%
    Spicy 61.78%
    Floral 56.63%
    Woody 50.16%
    Berry 46.2%
    Balsamic 40.1%
    Herbal 38.4%
    Warm 34.73%
    Tropical 34.52%

     

    Flavor
    Fruity 31.19%
    Floral 30.32%
    Herbal 29.47%
    Woody 29.19%
    Spicy 28.2%
    Sweet 27.42%
    Spice 24.19%
    Warm 22.07%
    Ethyl benzoate 20.97%
    Parsley 20.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.6 (neutral)

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 132.58 ˚C est.

  • Synonyms

    • 76236-22-1
    • EINECS 278-396-1
    • (E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate
    • YRKHQDBXYJCJLO-FNORWQNLSA-N
    • DTXSID901159655
    • 2-METHOXY-4-[(1E)-PROP-1-EN-1-YL]PHENYL 2-METHYLBUTANOATE
    • NS00059883
    • Butanoic acid, 2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)-
    • 76236-22-1

  • Applications

    The compound (E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate (CAS 76236-22-1) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics, contributing green, floral, and fruity notes. It is commonly regarded as an intermediate in fragrance synthesis and may be employed in formulations for personal care and household products. Because of its ester character, it can be incorporated into coatings and inks to impart a fragrance release, and in industrial manufacturing as a component of fragrance formulations. It may also be evaluated as a fragrance intermediate within the supply chain for fragrance-focused industries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2073.05
    methanol 2172.58
    isopropanol 1232.92
    water 0.51
    ethyl acetate 5890.19
    n-propanol 1887.55
    acetone 4581.78
    n-butanol 1811.45
    acetonitrile 4227.15
    DMF 4461.72
    toluene 2539.34
    isobutanol 1410.73
    1,4-dioxane 3046.53
    methyl acetate 3963.79
    THF 2842.41
    2-butanone 3900.73
    n-pentanol 1015.7
    sec-butanol 1830.78
    n-hexane 168.13
    ethylene glycol 193.39
    NMP 3052.97
    cyclohexane 499.31
    DMSO 2848.6
    n-butyl acetate 2193.36
    n-octanol 326.33
    chloroform 8573.76
    n-propyl acetate 2031.73
    acetic acid 2330.05
    dichloromethane 9966.61
    cyclohexanone 4036.66
    propylene glycol 329.29
    isopropyl acetate 2390.24
    DMAc 3402.64
    2-ethoxyethanol 1538.17
    isopentanol 1535.37
    n-heptane 54.39
    ethyl formate 1851.66
    1,2-dichloroethane 7440.72
    n-hexanol 939.61
    2-methoxyethanol 2507.58
    isobutyl acetate 999.62
    tetrachloromethane 938.12
    n-pentyl acetate 980.42
    transcutol 3948.09
    n-heptanol 363.14
    ethylbenzene 882.51
    MIBK 1443.37
    2-propoxyethanol 1417.8
    tert-butanol 1777.94
    MTBE 2930.19
    2-butoxyethanol 728.7
    propionic acid 1698.51
    o-xylene 1088.09
    formic acid 531.34
    diethyl ether 4212.85
    m-xylene 1181.0
    p-xylene 1067.28
    chlorobenzene 3017.83
    dimethyl carbonate 1376.21
    n-octane 33.04
    formamide 1503.72
    cyclopentanone 3868.83
    2-pentanone 3502.34
    anisole 1716.09
    cyclopentyl methyl ether 2196.6
    gamma-butyrolactone 3669.88
    1-methoxy-2-propanol 1736.14
    pyridine 4619.09
    3-pentanone 2871.08
    furfural 2849.23
    n-dodecane 26.47
    diethylene glycol 840.2
    diisopropyl ether 789.12
    tert-amyl alcohol 1983.06
    acetylacetone 3181.57
    n-hexadecane 31.94
    acetophenone 1514.12
    methyl propionate 3787.92
    isopentyl acetate 1662.4
    trichloroethylene 11640.67
    n-nonanol 291.17
    cyclohexanol 1856.31
    benzyl alcohol 1263.4
    2-ethylhexanol 574.32
    isooctanol 309.99
    dipropyl ether 603.44
    1,2-dichlorobenzene 2198.79
    ethyl lactate 533.38
    propylene carbonate 2121.89
    n-methylformamide 2127.62
    2-pentanol 1408.88
    n-pentane 181.01
    1-propoxy-2-propanol 879.36
    1-methoxy-2-propyl acetate 1466.34
    2-(2-methoxypropoxy) propanol 588.93
    mesitylene 552.41
    ε-caprolactone 3362.14
    p-cymene 304.47
    epichlorohydrin 5295.9
    1,1,1-trichloroethane 5182.89
    2-aminoethanol 576.26
    morpholine-4-carbaldehyde 2542.99
    sulfolane 3061.68
    2,2,4-trimethylpentane 121.69
    2-methyltetrahydrofuran 3088.55
    n-hexyl acetate 1167.27
    isooctane 77.4
    2-(2-butoxyethoxy)ethanol 916.66
    sec-butyl acetate 1319.0
    tert-butyl acetate 1897.29
    decalin 188.29
    glycerin 399.33
    diglyme 1910.87
    acrylic acid 1450.67
    isopropyl myristate 345.97
    n-butyric acid 2660.91
    acetyl acetate 2645.08
    di(2-ethylhexyl) phthalate 296.96
    ethyl propionate 1868.74
    nitromethane 4981.65
    1,2-diethoxyethane 1733.89
    benzonitrile 1835.25
    trioctyl phosphate 216.39
    1-bromopropane 3493.15
    gamma-valerolactone 3807.11
    n-decanol 204.51
    triethyl phosphate 411.33
    4-methyl-2-pentanol 593.68
    propionitrile 2682.81
    vinylene carbonate 2098.09
    1,1,2-trichlorotrifluoroethane 2548.65
    DMS 1240.95
    cumene 444.23
    2-octanol 276.44
    2-hexanone 1564.1
    octyl acetate 462.4
    limonene 477.99
    1,2-dimethoxyethane 2411.82
    ethyl orthosilicate 399.07
    tributyl phosphate 317.69
    diacetone alcohol 1535.55
    N,N-dimethylaniline 830.65
    acrylonitrile 3261.21
    aniline 2324.06
    1,3-propanediol 1084.61
    bromobenzene 3547.29
    dibromomethane 6305.51
    1,1,2,2-tetrachloroethane 8442.41
    2-methyl-cyclohexyl acetate 698.53
    tetrabutyl urea 359.02
    diisobutyl methanol 290.85
    2-phenylethanol 994.75
    styrene 1324.02
    dioctyl adipate 482.28
    dimethyl sulfate 1486.8
    ethyl butyrate 1173.88
    methyl lactate 792.87
    butyl lactate 537.05
    diethyl carbonate 817.96
    propanediol butyl ether 560.22
    triethyl orthoformate 612.96
    p-tert-butyltoluene 278.28
    methyl 4-tert-butylbenzoate 665.21
    morpholine 3894.0
    tert-butylamine 1056.13
    n-dodecanol 152.18
    dimethoxymethane 2751.69
    ethylene carbonate 1858.39
    cyrene 646.24
    2-ethoxyethyl acetate 1425.95
    2-ethylhexyl acetate 1277.06
    1,2,4-trichlorobenzene 2335.0
    4-methylpyridine 4683.93
    dibutyl ether 590.3
    2,6-dimethyl-4-heptanol 290.85
    DEF 3908.82
    dimethyl isosorbide 1046.82
    tetrachloroethylene 4987.61
    eugenol 647.55
    triacetin 870.65
    span 80 490.65
    1,4-butanediol 395.66
    1,1-dichloroethane 6500.22
    2-methyl-1-pentanol 1121.69
    methyl formate 1578.97
    2-methyl-1-butanol 1786.35
    n-decane 43.8
    butyronitrile 2528.33
    3,7-dimethyl-1-octanol 382.72
    1-chlorooctane 315.54
    1-chlorotetradecane 109.13
    n-nonane 40.98
    undecane 32.62
    tert-butylcyclohexane 141.99
    cyclooctane 119.37
    cyclopentanol 1268.85
    tetrahydropyran 3810.62
    tert-amyl methyl ether 2029.23
    2,5,8-trioxanonane 1056.14
    1-hexene 704.18
    2-isopropoxyethanol 1050.85
    2,2,2-trifluoroethanol 747.43
    methyl butyrate 2380.27

    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