3,4-Methylenedioxyphenylacetic acid, isopropyl ester

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  • Identifiers

    CAS number
    143284-63-3

    Molecular formula
    C12H14O4

    SMILES
    CC(C)OC(=O)CC1=CC2=C(C=C1)OCO2

  • Odor profile

    Fragrance
    Sweet 58.73%
    Floral 53.6%
    Fruity 48.36%
    Honey 41.58%
    Powdery 38.44%
    Balsamic 35.28%
    Vanilla 34.81%
    Animal 34.05%
    Spicy 33.66%
    Aromatic 30.68%

     

    Flavor
    Bitter 53.43%
    Sweet 53.37%
    Fruity 41.09%
    Floral 37.21%
    Herbal 27.63%
    Powdery 25.5%
    Spice 24.54%
    Woody 24.42%
    Balsam 23.12%
    Mild 22.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.22 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 141.46 ˚C est.

  • Synonyms

    • 143284-63-3
    • PNGCJNRFEJPSJH-UHFFFAOYSA-N
    • DTXSID301343818
    • Isopropyl 1,3-benzodioxol-5-ylacetate
    • EN300-732999
    • propan-2-yl 2-(1,3-dioxaindan-5-yl)acetate
    • 3,4-methylenedioxyphenylacetic acid, isopropyl ester

  • Applications

    3,4-Methylenedioxyphenylacetic acid, isopropyl ester (CAS 143284-63-3) is primarily used as an organic synthesis intermediate for aromatic compounds. In perfumery and cosmetics, the isopropyl ester provides a versatile building block to introduce the methylenedioxyphenyl moiety into fragrance ingredients, supporting the synthesis of aroma compounds with tailored volatility and solubility. In pharmaceutical development, it serves as a flexible precursor for subsequent functionalization to access aromatic scaffolds and drug-like intermediates. It also functions as a precursor for specialty polymers or coatings, adding a protected aromatic building block for material applications in industrial manufacturing. Handling and use are subject to standard safety practices and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.61
    methanol 135.6
    isopropanol 75.09
    water 2.8
    ethyl acetate 89.12
    n-propanol 69.29
    acetone 200.73
    n-butanol 54.28
    acetonitrile 197.56
    DMF 422.46
    toluene 19.71
    isobutanol 52.5
    1,4-dioxane 200.44
    methyl acetate 121.58
    THF 173.27
    2-butanone 98.56
    n-pentanol 54.71
    sec-butanol 67.28
    n-hexane 2.4
    ethylene glycol 77.01
    NMP 271.06
    cyclohexane 3.38
    DMSO 398.88
    n-butyl acetate 51.36
    n-octanol 31.61
    chloroform 289.51
    n-propyl acetate 59.04
    acetic acid 324.03
    dichloromethane 263.15
    cyclohexanone 121.5
    propylene glycol 95.46
    isopropyl acetate 49.97
    DMAc 404.39
    2-ethoxyethanol 182.84
    isopentanol 56.33
    n-heptane 1.81
    ethyl formate 75.73
    1,2-dichloroethane 138.86
    n-hexanol 41.36
    2-methoxyethanol 258.94
    isobutyl acetate 44.16
    tetrachloromethane 16.64
    n-pentyl acetate 32.83
    transcutol 467.69
    n-heptanol 22.18
    ethylbenzene 17.15
    MIBK 53.69
    2-propoxyethanol 127.34
    tert-butanol 107.29
    MTBE 48.96
    2-butoxyethanol 66.23
    propionic acid 122.1
    o-xylene 19.87
    formic acid 193.97
    diethyl ether 53.6
    m-xylene 19.42
    p-xylene 26.28
    chlorobenzene 57.81
    dimethyl carbonate 69.5
    n-octane 1.42
    formamide 249.9
    cyclopentanone 142.71
    2-pentanone 69.95
    anisole 71.68
    cyclopentyl methyl ether 61.64
    gamma-butyrolactone 190.03
    1-methoxy-2-propanol 173.39
    pyridine 117.47
    3-pentanone 61.6
    furfural 224.79
    n-dodecane 2.5
    diethylene glycol 177.49
    diisopropyl ether 15.27
    tert-amyl alcohol 77.69
    acetylacetone 133.01
    n-hexadecane 2.83
    acetophenone 77.83
    methyl propionate 87.29
    isopentyl acetate 52.23
    trichloroethylene 275.8
    n-nonanol 30.67
    cyclohexanol 53.81
    benzyl alcohol 73.46
    2-ethylhexanol 26.94
    isooctanol 21.1
    dipropyl ether 28.57
    1,2-dichlorobenzene 64.63
    ethyl lactate 61.61
    propylene carbonate 112.02
    n-methylformamide 171.24
    2-pentanol 38.49
    n-pentane 1.81
    1-propoxy-2-propanol 81.16
    1-methoxy-2-propyl acetate 77.98
    2-(2-methoxypropoxy) propanol 119.78
    mesitylene 12.42
    ε-caprolactone 113.99
    p-cymene 14.78
    epichlorohydrin 207.77
    1,1,1-trichloroethane 90.44
    2-aminoethanol 99.73
    morpholine-4-carbaldehyde 261.83
    sulfolane 217.53
    2,2,4-trimethylpentane 2.34
    2-methyltetrahydrofuran 98.96
    n-hexyl acetate 58.45
    isooctane 1.56
    2-(2-butoxyethoxy)ethanol 137.77
    sec-butyl acetate 40.49
    tert-butyl acetate 57.09
    decalin 3.7
    glycerin 172.82
    diglyme 226.0
    acrylic acid 143.66
    isopropyl myristate 30.79
    n-butyric acid 100.29
    acetyl acetate 89.67
    di(2-ethylhexyl) phthalate 41.48
    ethyl propionate 56.35
    nitromethane 477.84
    1,2-diethoxyethane 90.09
    benzonitrile 82.08
    trioctyl phosphate 26.59
    1-bromopropane 49.84
    gamma-valerolactone 222.87
    n-decanol 24.28
    triethyl phosphate 40.14
    4-methyl-2-pentanol 28.46
    propionitrile 84.63
    vinylene carbonate 130.68
    1,1,2-trichlorotrifluoroethane 205.58
    DMS 79.58
    cumene 15.63
    2-octanol 17.95
    2-hexanone 61.21
    octyl acetate 38.18
    limonene 18.27
    1,2-dimethoxyethane 225.22
    ethyl orthosilicate 35.4
    tributyl phosphate 38.47
    diacetone alcohol 92.81
    N,N-dimethylaniline 51.99
    acrylonitrile 133.9
    aniline 57.07
    1,3-propanediol 116.79
    bromobenzene 50.28
    dibromomethane 135.85
    1,1,2,2-tetrachloroethane 205.13
    2-methyl-cyclohexyl acetate 47.6
    tetrabutyl urea 50.35
    diisobutyl methanol 19.32
    2-phenylethanol 55.51
    styrene 22.72
    dioctyl adipate 53.25
    dimethyl sulfate 132.84
    ethyl butyrate 46.85
    methyl lactate 85.0
    butyl lactate 46.64
    diethyl carbonate 46.72
    propanediol butyl ether 88.26
    triethyl orthoformate 42.62
    p-tert-butyltoluene 13.9
    methyl 4-tert-butylbenzoate 67.81
    morpholine 199.1
    tert-butylamine 47.8
    n-dodecanol 20.27
    dimethoxymethane 169.06
    ethylene carbonate 98.27
    cyrene 109.44
    2-ethoxyethyl acetate 65.49
    2-ethylhexyl acetate 40.24
    1,2,4-trichlorobenzene 81.72
    4-methylpyridine 101.85
    dibutyl ether 35.12
    2,6-dimethyl-4-heptanol 19.32
    DEF 99.79
    dimethyl isosorbide 143.05
    tetrachloroethylene 104.23
    eugenol 75.77
    triacetin 98.31
    span 80 76.73
    1,4-butanediol 69.79
    1,1-dichloroethane 114.88
    2-methyl-1-pentanol 53.09
    methyl formate 148.98
    2-methyl-1-butanol 49.7
    n-decane 3.54
    butyronitrile 72.54
    3,7-dimethyl-1-octanol 36.68
    1-chlorooctane 17.78
    1-chlorotetradecane 9.39
    n-nonane 2.9
    undecane 2.93
    tert-butylcyclohexane 3.29
    cyclooctane 1.2
    cyclopentanol 62.91
    tetrahydropyran 90.15
    tert-amyl methyl ether 40.29
    2,5,8-trioxanonane 187.32
    1-hexene 12.09
    2-isopropoxyethanol 109.31
    2,2,2-trifluoroethanol 142.37
    methyl butyrate 69.26

    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