alpha,4-Dimethoxybenzenepropanoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    87387-83-5

    Molecular formula
    C11H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 62.94%
    Fruity 49.82%
    Vanilla 42.07%
    Floral 41.16%
    Honey 36.24%
    Creamy 35.06%
    Caramellic 33.2%
    Powdery 31.31%
    Balsamic 29.71%
    Chocolate 26.2%

     

    Flavor
    Fruity 58.96%
    Sweet 54.09%
    Odorless 30.27%
    Mild 28.82%
    Grape 28.27%
    Creamy 27.41%
    Floral 25.89%
    Powdery 25.12%
    Berry 23.56%
    Sour 23.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.86 (neutral)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point

    • 150.8 ˚C est.

  • Synonyms

    • 87387-83-5
    • alpha,4-Dimethoxybenzenepropanoic acid
    • RefChem:318123
    • 2-methoxy-3-(4-methoxyphenyl)propanoic acid
    • SCHEMBL4462284
    • CHEBI:174055
    • DTXSID801297947
    • BB_NC-02855
    • BBL033226
    • MFCD22201470
    • STL374140
    • AKOS022060352
    • I+/-,4-Dimethoxybenzenepropanoic acid
    • VS-11895
    • G38792
    • EN300-1830915
    • 87387-83-5

  • Applications

    alpha,4-Dimethoxybenzenepropanoic acid is primarily used as an intermediate in the synthesis of fragrance materials and aroma chemicals for the perfumery industry; it also serves as a precursor to fragrance-related esters and amides that may find use in cosmetics and personal care formulations. In industrial manufacturing, it acts as a building block for specialty polymers and resin systems requiring an aromatic, methoxy-substituted scaffold. In pharmaceutical research, it is employed as a synthetic intermediate to access more complex active compounds. Additionally, it may be evaluated as an odorant precursor or aromatic building block in coatings and inks formulations, depending on regulatory and formulation constraints. CAS number: 87387-83-5.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.58
    methanol 306.78
    isopropanol 79.16
    water 10.14
    ethyl acetate 86.52
    n-propanol 81.84
    acetone 37.93
    n-butanol 60.52
    acetonitrile 35.67
    DMF 236.51
    toluene 11.13
    isobutanol 48.12
    1,4-dioxane 320.46
    methyl acetate 66.71
    THF 150.47
    2-butanone 29.19
    n-pentanol 53.33
    sec-butanol 49.85
    n-hexane 0.48
    ethylene glycol 276.57
    NMP 72.89
    cyclohexane 2.18
    DMSO 372.42
    n-butyl acetate 12.12
    n-octanol 16.21
    chloroform 39.08
    n-propyl acetate 23.71
    acetic acid 203.81
    dichloromethane 59.67
    cyclohexanone 62.53
    propylene glycol 208.43
    isopropyl acetate 27.67
    DMAc 213.89
    2-ethoxyethanol 396.38
    isopentanol 45.22
    n-heptane 1.28
    ethyl formate 66.18
    1,2-dichloroethane 39.55
    n-hexanol 35.46
    2-methoxyethanol 686.93
    isobutyl acetate 13.14
    tetrachloromethane 5.15
    n-pentyl acetate 9.69
    transcutol 218.93
    n-heptanol 20.15
    ethylbenzene 9.44
    MIBK 19.46
    2-propoxyethanol 143.82
    tert-butanol 218.52
    MTBE 27.61
    2-butoxyethanol 59.91
    propionic acid 92.43
    o-xylene 15.01
    formic acid 411.88
    diethyl ether 21.61
    m-xylene 13.44
    p-xylene 11.79
    chlorobenzene 14.46
    dimethyl carbonate 35.18
    n-octane 1.12
    formamide 543.7
    cyclopentanone 61.08
    2-pentanone 25.89
    anisole 39.02
    cyclopentyl methyl ether 40.21
    gamma-butyrolactone 115.64
    1-methoxy-2-propanol 318.41
    pyridine 65.35
    3-pentanone 17.77
    furfural 130.33
    n-dodecane 1.2
    diethylene glycol 261.0
    diisopropyl ether 5.35
    tert-amyl alcohol 98.17
    acetylacetone 56.2
    n-hexadecane 1.31
    acetophenone 41.44
    methyl propionate 64.85
    isopentyl acetate 13.64
    trichloroethylene 68.16
    n-nonanol 16.48
    cyclohexanol 64.97
    benzyl alcohol 65.99
    2-ethylhexanol 14.5
    isooctanol 15.47
    dipropyl ether 10.93
    1,2-dichlorobenzene 16.81
    ethyl lactate 39.24
    propylene carbonate 54.53
    n-methylformamide 197.89
    2-pentanol 29.7
    n-pentane 0.51
    1-propoxy-2-propanol 60.7
    1-methoxy-2-propyl acetate 34.13
    2-(2-methoxypropoxy) propanol 58.74
    mesitylene 8.71
    ε-caprolactone 76.62
    p-cymene 7.1
    epichlorohydrin 144.15
    1,1,1-trichloroethane 20.31
    2-aminoethanol 350.65
    morpholine-4-carbaldehyde 216.58
    sulfolane 123.87
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 69.94
    n-hexyl acetate 16.3
    isooctane 0.75
    2-(2-butoxyethoxy)ethanol 85.31
    sec-butyl acetate 14.57
    tert-butyl acetate 31.32
    decalin 1.75
    glycerin 398.02
    diglyme 152.45
    acrylic acid 87.74
    isopropyl myristate 8.91
    n-butyric acid 115.72
    acetyl acetate 36.44
    di(2-ethylhexyl) phthalate 14.84
    ethyl propionate 26.53
    nitromethane 261.94
    1,2-diethoxyethane 36.63
    benzonitrile 30.25
    trioctyl phosphate 9.77
    1-bromopropane 9.58
    gamma-valerolactone 180.47
    n-decanol 13.57
    triethyl phosphate 14.61
    4-methyl-2-pentanol 18.91
    propionitrile 26.59
    vinylene carbonate 59.54
    1,1,2-trichlorotrifluoroethane 148.32
    DMS 24.11
    cumene 7.84
    2-octanol 10.95
    2-hexanone 17.6
    octyl acetate 11.99
    limonene 9.0
    1,2-dimethoxyethane 235.73
    ethyl orthosilicate 14.1
    tributyl phosphate 11.06
    diacetone alcohol 86.42
    N,N-dimethylaniline 27.98
    acrylonitrile 47.55
    aniline 41.74
    1,3-propanediol 378.78
    bromobenzene 11.38
    dibromomethane 25.33
    1,1,2,2-tetrachloroethane 57.04
    2-methyl-cyclohexyl acetate 18.94
    tetrabutyl urea 19.08
    diisobutyl methanol 10.59
    2-phenylethanol 40.08
    styrene 10.11
    dioctyl adipate 17.92
    dimethyl sulfate 58.15
    ethyl butyrate 14.7
    methyl lactate 77.86
    butyl lactate 18.91
    diethyl carbonate 14.21
    propanediol butyl ether 58.85
    triethyl orthoformate 15.14
    p-tert-butyltoluene 7.19
    methyl 4-tert-butylbenzoate 33.64
    morpholine 361.77
    tert-butylamine 49.23
    n-dodecanol 11.33
    dimethoxymethane 169.32
    ethylene carbonate 51.68
    cyrene 69.65
    2-ethoxyethyl acetate 25.62
    2-ethylhexyl acetate 9.37
    1,2,4-trichlorobenzene 22.48
    4-methylpyridine 50.1
    dibutyl ether 10.28
    2,6-dimethyl-4-heptanol 10.59
    DEF 68.49
    dimethyl isosorbide 83.7
    tetrachloroethylene 36.95
    eugenol 45.4
    triacetin 30.67
    span 80 43.36
    1,4-butanediol 161.17
    1,1-dichloroethane 21.57
    2-methyl-1-pentanol 37.36
    methyl formate 141.72
    2-methyl-1-butanol 41.3
    n-decane 1.64
    butyronitrile 27.26
    3,7-dimethyl-1-octanol 15.41
    1-chlorooctane 6.0
    1-chlorotetradecane 3.53
    n-nonane 1.36
    undecane 1.37
    tert-butylcyclohexane 1.36
    cyclooctane 1.21
    cyclopentanol 69.94
    tetrahydropyran 69.16
    tert-amyl methyl ether 24.44
    2,5,8-trioxanonane 127.95
    1-hexene 2.46
    2-isopropoxyethanol 135.72
    2,2,2-trifluoroethanol 100.88
    methyl butyrate 38.56

    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