Methyl 3-(3-methoxyphenyl)propanoate

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  • Identifiers

    CAS number
    50704-52-4

    Molecular formula
    C11H14O3

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

  • Odor profile

    Fragrance
    Fruity 92.38%
    Floral 77.83%
    Sweet 75.86%
    Honey 42.43%
    Berry 40.83%
    Spicy 39.86%
    Rose 38.86%
    Balsamic 38.83%
    Cherry 38.2%
    Powdery 38.1%

     

    Flavor
    Fruity 79.97%
    Floral 61.52%
    Balsam 49.93%
    Sweet 45.25%
    Jasmin 37.22%
    Wine 33.25%
    Rose 33.08%
    Berry 32.79%
    Pineapple 31.29%
    Strawberry 31.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.55 (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

    • 122.3 ˚C est.

  • Synonyms

    • methyl 3-(3-methoxyphenyl)propanoate
    • 50704-52-4
    • Benzenepropanoic acid, 3-methoxy-, methyl ester
    • DTXSID10501119
    • methyl 3-(3-methoxyphenyl)propionate
    • SCHEMBL63100
    • CHEMBL2252072
    • Methyl 3-methoxybenzenepropanoate
    • DTXCID70451929
    • FYJALTJARZKGEB-UHFFFAOYSA-N
    • AKOS027475318
    • HS-3513
    • DB-297890
    • F74569
    • EN300-7465638

  • Applications

    Methyl 3-(3-methoxyphenyl)propanoate, CAS 50704-52-4, is an arylpropanoate ester used primarily as an intermediate and fragrance ingredient in industrial formulations. In practice, it is commonly employed as an intermediate for synthesizing more complex fragrance compounds in perfumery; it can serve as a precursor in cosmetic and personal care formulas; it may function as an aroma component in fragrance systems for household and cleaning products; and it can participate in the synthesis of additional organic compounds in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.16
    methanol 216.37
    isopropanol 147.69
    water 1.15
    ethyl acetate 273.27
    n-propanol 116.52
    acetone 165.23
    n-butanol 96.68
    acetonitrile 259.43
    DMF 282.65
    toluene 74.18
    isobutanol 78.27
    1,4-dioxane 599.34
    methyl acetate 241.04
    THF 258.72
    2-butanone 173.44
    n-pentanol 83.2
    sec-butanol 110.16
    n-hexane 4.28
    ethylene glycol 71.81
    NMP 128.47
    cyclohexane 7.56
    DMSO 454.62
    n-butyl acetate 73.92
    n-octanol 25.12
    chloroform 786.33
    n-propyl acetate 99.34
    acetic acid 267.17
    dichloromethane 729.41
    cyclohexanone 158.11
    propylene glycol 85.27
    isopropyl acetate 97.74
    DMAc 373.25
    2-ethoxyethanol 299.47
    isopentanol 83.44
    n-heptane 3.04
    ethyl formate 126.6
    1,2-dichloroethane 397.35
    n-hexanol 58.33
    2-methoxyethanol 399.82
    isobutyl acetate 53.51
    tetrachloromethane 60.15
    n-pentyl acetate 37.48
    transcutol 465.31
    n-heptanol 25.93
    ethylbenzene 46.46
    MIBK 67.07
    2-propoxyethanol 154.03
    tert-butanol 304.28
    MTBE 153.48
    2-butoxyethanol 75.1
    propionic acid 143.05
    o-xylene 60.71
    formic acid 149.57
    diethyl ether 153.86
    m-xylene 44.17
    p-xylene 56.5
    chlorobenzene 112.94
    dimethyl carbonate 72.54
    n-octane 2.24
    formamide 253.26
    cyclopentanone 152.21
    2-pentanone 101.81
    anisole 152.0
    cyclopentyl methyl ether 85.97
    gamma-butyrolactone 225.98
    1-methoxy-2-propanol 230.08
    pyridine 268.5
    3-pentanone 96.55
    furfural 303.68
    n-dodecane 2.48
    diethylene glycol 175.06
    diisopropyl ether 26.46
    tert-amyl alcohol 175.64
    acetylacetone 167.57
    n-hexadecane 2.86
    acetophenone 121.67
    methyl propionate 160.46
    isopentyl acetate 67.22
    trichloroethylene 672.77
    n-nonanol 26.13
    cyclohexanol 86.97
    benzyl alcohol 117.62
    2-ethylhexanol 34.12
    isooctanol 23.15
    dipropyl ether 41.47
    1,2-dichlorobenzene 111.4
    ethyl lactate 60.11
    propylene carbonate 123.89
    n-methylformamide 172.04
    2-pentanol 59.52
    n-pentane 2.81
    1-propoxy-2-propanol 87.95
    1-methoxy-2-propyl acetate 101.33
    2-(2-methoxypropoxy) propanol 101.46
    mesitylene 26.68
    ε-caprolactone 153.98
    p-cymene 23.69
    epichlorohydrin 398.24
    1,1,1-trichloroethane 279.71
    2-aminoethanol 127.5
    morpholine-4-carbaldehyde 292.64
    sulfolane 229.11
    2,2,4-trimethylpentane 4.65
    2-methyltetrahydrofuran 172.38
    n-hexyl acetate 56.53
    isooctane 2.86
    2-(2-butoxyethoxy)ethanol 126.76
    sec-butyl acetate 65.86
    tert-butyl acetate 105.89
    decalin 8.26
    glycerin 153.6
    diglyme 263.47
    acrylic acid 129.36
    isopropyl myristate 25.51
    n-butyric acid 162.21
    acetyl acetate 139.82
    di(2-ethylhexyl) phthalate 32.58
    ethyl propionate 97.02
    nitromethane 495.06
    1,2-diethoxyethane 131.38
    benzonitrile 110.33
    trioctyl phosphate 18.33
    1-bromopropane 135.65
    gamma-valerolactone 287.69
    n-decanol 20.13
    triethyl phosphate 47.37
    4-methyl-2-pentanol 34.43
    propionitrile 151.4
    vinylene carbonate 145.45
    1,1,2-trichlorotrifluoroethane 311.9
    DMS 84.72
    cumene 31.57
    2-octanol 18.3
    2-hexanone 84.83
    octyl acetate 30.51
    limonene 29.69
    1,2-dimethoxyethane 389.11
    ethyl orthosilicate 44.72
    tributyl phosphate 27.02
    diacetone alcohol 132.19
    N,N-dimethylaniline 88.56
    acrylonitrile 201.06
    aniline 135.61
    1,3-propanediol 187.64
    bromobenzene 111.66
    dibromomethane 382.14
    1,1,2,2-tetrachloroethane 512.07
    2-methyl-cyclohexyl acetate 58.5
    tetrabutyl urea 36.5
    diisobutyl methanol 24.93
    2-phenylethanol 77.7
    styrene 62.82
    dioctyl adipate 45.59
    dimethyl sulfate 125.75
    ethyl butyrate 69.55
    methyl lactate 80.18
    butyl lactate 39.59
    diethyl carbonate 62.47
    propanediol butyl ether 68.83
    triethyl orthoformate 55.18
    p-tert-butyltoluene 23.23
    methyl 4-tert-butylbenzoate 76.19
    morpholine 506.32
    tert-butylamine 115.75
    n-dodecanol 16.47
    dimethoxymethane 210.55
    ethylene carbonate 115.89
    cyrene 104.77
    2-ethoxyethyl acetate 84.15
    2-ethylhexyl acetate 51.07
    1,2,4-trichlorobenzene 141.35
    4-methylpyridine 199.46
    dibutyl ether 38.52
    2,6-dimethyl-4-heptanol 24.93
    DEF 149.34
    dimethyl isosorbide 142.9
    tetrachloroethylene 305.43
    eugenol 83.37
    triacetin 84.19
    span 80 65.23
    1,4-butanediol 81.22
    1,1-dichloroethane 333.64
    2-methyl-1-pentanol 74.72
    methyl formate 130.53
    2-methyl-1-butanol 75.72
    n-decane 3.91
    butyronitrile 120.88
    3,7-dimethyl-1-octanol 31.89
    1-chlorooctane 18.76
    1-chlorotetradecane 9.03
    n-nonane 3.38
    undecane 2.98
    tert-butylcyclohexane 7.86
    cyclooctane 2.73
    cyclopentanol 79.34
    tetrahydropyran 249.57
    tert-amyl methyl ether 96.01
    2,5,8-trioxanonane 190.96
    1-hexene 25.44
    2-isopropoxyethanol 163.63
    2,2,2-trifluoroethanol 122.09
    methyl butyrate 122.45

    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