Methyl 3-(4-methoxyphenyl)propanoate

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  • Identifiers

    CAS number
    15823-04-8

    Molecular formula
    C11H14O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 94.72%
    Sweet 82.1%
    Floral 79.75%
    Cherry 46.47%
    Anisic 42.46%
    Berry 40.77%
    Balsamic 40.67%
    Spicy 40.1%
    Powdery 38.25%
    Rose 37.74%

     

    Flavor
    Fruity 82.03%
    Floral 69.22%
    Balsam 60.59%
    Sweet 60.47%
    Rose 43.69%
    Jasmin 41.54%
    Berry 39.1%
    Honey 37.89%
    Strawberry 37.55%
    Plum 37.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.99 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point

    • 116.86 ˚C est.

  • Synonyms

    • Methyl 3-(4-methoxyphenyl)propanoate
    • Benzenepropanoic acid, 4-methoxy-, methyl ester
    • Hydrocinnamic acid, p-methoxy-, methyl ester
    • Methyl 3-(p-methoxyphenyl)-propionate
    • DTXSID60306095
    • Methyl 3-(4-methoxyphenyl)-propionate
    • Propanoic acid, 3-(4-methoxyphenyl), methyl ester
    • RefChem:157425
    • DTXCID50257224
    • Methyl 3-(4-methoxyphenyl)propanoic acid
    • AKQLYAFBUYHFCK-UHFFFAOYSA-N
    • 15823-04-8
    • Methyl 3-(4-methoxyphenyl)propionate
    • Methyl p-methoxyhydrocinnamate
    • MFCD01923356
    • Methyl 4-methoxyphenylpropionate
    • Methyl p-methoxyhydrocinnamate; NSC 174074
    • NSC174074
    • 3-(4-methoxyphenyl)propionic acid methyl ester
    • orb1682133
    • SCHEMBL1445627
    • CHEMBL2252077
    • HY-N3290
    • methyl 3-(p-methoxyphenyl)propionate
    • STK424581
    • AKOS003271657
    • FM33379
    • NSC-174074
    • AS-12444
    • SY279049
    • DB-064208
    • CS-0023821
    • Methyl 3-(4-methoxyphenyl)propionate, 97%
    • ST50928031
    • F52669
    • F066786
    • 15823-04-8

  • Applications

    CAS number: 15823-04-8. Chemical name: Methyl 3-(4-methoxyphenyl)propanoate. It may be used primarily as an aroma/fragrance intermediate in perfumery and cosmetics, contributing to scent profiles in personal care formulations; it also serves as an intermediate in the synthesis of more complex aroma compounds in industrial manufacturing; it functions as a fragrance ingredient in household products such as cleaners and air fresheners; and in coatings and inks, it can be employed as a fragrance additive or fixative for specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.48
    methanol 434.22
    isopropanol 168.54
    water 2.29
    ethyl acetate 496.47
    n-propanol 163.69
    acetone 110.95
    n-butanol 130.01
    acetonitrile 298.12
    DMF 137.52
    toluene 99.41
    isobutanol 86.2
    1,4-dioxane 1041.48
    methyl acetate 298.88
    THF 351.38
    2-butanone 138.39
    n-pentanol 90.62
    sec-butanol 105.84
    n-hexane 1.74
    ethylene glycol 95.57
    NMP 60.2
    cyclohexane 7.09
    DMSO 220.01
    n-butyl acetate 72.23
    n-octanol 23.68
    chloroform 568.47
    n-propyl acetate 112.58
    acetic acid 332.64
    dichloromethane 662.3
    cyclohexanone 139.47
    propylene glycol 89.56
    isopropyl acetate 147.6
    DMAc 227.46
    2-ethoxyethanol 389.17
    isopentanol 88.11
    n-heptane 2.95
    ethyl formate 168.17
    1,2-dichloroethane 307.11
    n-hexanol 51.49
    2-methoxyethanol 588.14
    isobutyl acetate 57.43
    tetrachloromethane 35.94
    n-pentyl acetate 36.38
    transcutol 619.68
    n-heptanol 25.82
    ethylbenzene 42.58
    MIBK 61.19
    2-propoxyethanol 182.85
    tert-butanol 266.52
    MTBE 132.53
    2-butoxyethanol 84.96
    propionic acid 152.44
    o-xylene 58.19
    formic acid 247.94
    diethyl ether 195.83
    m-xylene 45.93
    p-xylene 54.2
    chlorobenzene 102.97
    dimethyl carbonate 95.15
    n-octane 2.1
    formamide 470.74
    cyclopentanone 104.97
    2-pentanone 90.22
    anisole 151.07
    cyclopentyl methyl ether 101.86
    gamma-butyrolactone 200.8
    1-methoxy-2-propanol 298.01
    pyridine 361.05
    3-pentanone 83.97
    furfural 275.3
    n-dodecane 2.48
    diethylene glycol 207.17
    diisopropyl ether 28.01
    tert-amyl alcohol 129.94
    acetylacetone 175.32
    n-hexadecane 2.79
    acetophenone 116.54
    methyl propionate 195.67
    isopentyl acetate 64.91
    trichloroethylene 549.46
    n-nonanol 25.41
    cyclohexanol 95.39
    benzyl alcohol 132.79
    2-ethylhexanol 29.02
    isooctanol 21.52
    dipropyl ether 45.87
    1,2-dichlorobenzene 94.01
    ethyl lactate 53.09
    propylene carbonate 122.24
    n-methylformamide 172.73
    2-pentanol 62.19
    n-pentane 2.04
    1-propoxy-2-propanol 90.65
    1-methoxy-2-propyl acetate 128.02
    2-(2-methoxypropoxy) propanol 103.75
    mesitylene 26.08
    ε-caprolactone 155.99
    p-cymene 19.79
    epichlorohydrin 405.75
    1,1,1-trichloroethane 204.21
    2-aminoethanol 169.41
    morpholine-4-carbaldehyde 299.64
    sulfolane 132.26
    2,2,4-trimethylpentane 2.97
    2-methyltetrahydrofuran 225.01
    n-hexyl acetate 49.9
    isooctane 1.96
    2-(2-butoxyethoxy)ethanol 141.18
    sec-butyl acetate 72.78
    tert-butyl acetate 125.25
    decalin 5.61
    glycerin 159.09
    diglyme 326.77
    acrylic acid 126.91
    isopropyl myristate 24.25
    n-butyric acid 216.05
    acetyl acetate 237.56
    di(2-ethylhexyl) phthalate 28.39
    ethyl propionate 112.59
    nitromethane 541.61
    1,2-diethoxyethane 180.46
    benzonitrile 114.05
    trioctyl phosphate 15.64
    1-bromopropane 91.91
    gamma-valerolactone 298.71
    n-decanol 19.97
    triethyl phosphate 44.76
    4-methyl-2-pentanol 33.02
    propionitrile 171.27
    vinylene carbonate 149.52
    1,1,2-trichlorotrifluoroethane 245.03
    DMS 83.95
    cumene 25.11
    2-octanol 15.97
    2-hexanone 67.43
    octyl acetate 28.07
    limonene 23.8
    1,2-dimethoxyethane 483.02
    ethyl orthosilicate 47.03
    tributyl phosphate 23.62
    diacetone alcohol 128.11
    N,N-dimethylaniline 76.17
    acrylonitrile 215.22
    aniline 171.63
    1,3-propanediol 264.18
    bromobenzene 101.18
    dibromomethane 273.53
    1,1,2,2-tetrachloroethane 364.73
    2-methyl-cyclohexyl acetate 56.65
    tetrabutyl urea 32.49
    diisobutyl methanol 20.8
    2-phenylethanol 82.76
    styrene 60.48
    dioctyl adipate 45.46
    dimethyl sulfate 103.45
    ethyl butyrate 77.99
    methyl lactate 87.11
    butyl lactate 32.93
    diethyl carbonate 68.47
    propanediol butyl ether 59.92
    triethyl orthoformate 63.88
    p-tert-butyltoluene 19.26
    methyl 4-tert-butylbenzoate 70.85
    morpholine 798.46
    tert-butylamine 100.32
    n-dodecanol 16.42
    dimethoxymethane 280.93
    ethylene carbonate 131.71
    cyrene 88.55
    2-ethoxyethyl acetate 99.07
    2-ethylhexyl acetate 48.95
    1,2,4-trichlorobenzene 118.65
    4-methylpyridine 226.3
    dibutyl ether 42.08
    2,6-dimethyl-4-heptanol 20.8
    DEF 134.68
    dimethyl isosorbide 159.49
    tetrachloroethylene 221.91
    eugenol 76.94
    triacetin 88.31
    span 80 61.44
    1,4-butanediol 87.58
    1,1-dichloroethane 231.09
    2-methyl-1-pentanol 66.53
    methyl formate 139.14
    2-methyl-1-butanol 75.94
    n-decane 3.7
    butyronitrile 136.03
    3,7-dimethyl-1-octanol 27.88
    1-chlorooctane 16.18
    1-chlorotetradecane 8.32
    n-nonane 3.04
    undecane 2.91
    tert-butylcyclohexane 5.07
    cyclooctane 2.58
    cyclopentanol 80.54
    tetrahydropyran 354.76
    tert-amyl methyl ether 80.77
    2,5,8-trioxanonane 250.93
    1-hexene 13.53
    2-isopropoxyethanol 180.63
    2,2,2-trifluoroethanol 117.73
    methyl butyrate 126.76

    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