7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid

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  • Identifiers

    CAS number
    526-34-1

    Molecular formula
    C9H8O5

    SMILES
    COC1=CC(=CC2=C1OCO2)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 47.17%
    Odorless 45.56%
    Balsamic 43.55%
    Sweet 41.5%
    Phenolic 39.55%
    Powdery 35.26%
    Creamy 35.17%
    Floral 31.0%
    Spicy 30.79%
    Milky 28.15%

     

    Flavor
    Bitter 45.88%
    Sweet 32.52%
    Faint 30.56%
    Odorless 29.54%
    Vanilla 25.29%
    Powdery 24.55%
    Bland 24.24%
    Balsamic 21.92%
    Heliotropin 21.13%
    Parsley 21.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.57 (neutral)

    Molecular weight
    196.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Melting point expt.

    • 212 °C

    Flash point

    • 174.46 ˚C est.

  • Synonyms

    • 526-34-1
    • 7-Methoxy-1,3-benzodioxole-5-carboxylic acid
    • 7-Methoxy-1,3-benzodioxide-5-carboxylic acid
    • 7-METHOXY-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
    • 7-methoxybenzo[d][1,3]dioxole-5-carboxylic acid
    • RRP636WWT7
    • 1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-
    • 3-METHOXY-4,5-METHYLENEDIOXYBENZOIC ACID
    • UNII-RRP636WWT7
    • MFCD06203628
    • 7-methoxy-1,3-dioxaindane-5-carboxylic acid
    • 7-Methoxy-piperonylic acid
    • 7-methoxy-2H-benzo[d]1,3-dioxolane-5-carboxylic acid
    • Myristicinsaure
    • Myristicic acid
    • Myristicin acid
    • 7-Methoxy-1,3-Benzodioxole-5-carboxylicacid
    • 5-Methoxypiperonylic acid
    • 7-Methoxy-piperonylicacid
    • 1,3-Benzodioxole-5-carboxylicacid, 7-methoxy-
    • SCHEMBL4938172
    • DTXSID60345823
    • TQP0783
    • CHEBI:173960
    • AAA52634
    • BB_NC-02065
    • BBL030466
    • SBB019099
    • STK787929
    • AKOS000426780
    • AB23203
    • EBC-618280
    • NCGC00330666-01
    • 3,4-Methylenedioxy-5-methoxybenzoic acid
    • AC-13928
    • SY309802
    • VS-09826
    • DB-071562
    • ST4146405
    • A18845
    • 7-Methoxy-1,3-benzodioxole-5-carboxylic acid #
    • AB01325082-02
    • EN300-2807300
    • Z1198166711
    • 7-Methoxy-1,3-benzodioxole-5-carboxylic acid, AldrichCPR
    • 526-34-1

  • Applications

    7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid (CAS 526-34-1) is primarily used as a synthetic building block and intermediate in organic synthesis for fragrance and flavor chemistry, enabling the development of aroma compounds for perfumery and taste formulations. It also serves as a precursor to pharmaceutical intermediates, supporting diverse transformations toward active pharmaceutical ingredients. In cosmetics and personal care, it may function as a fragrance-related intermediate contributing to formulation scent profiles. In polymers/plastics and coatings/inks, it can be leveraged as a functional aromatic building block for specialty materials and formulations. Its applications are typically governed by regulatory considerations and formulation limits, i.e., subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.11
    methanol 59.78
    isopropanol 16.57
    water 10.16
    ethyl acetate 12.34
    n-propanol 15.87
    acetone 58.53
    n-butanol 12.22
    acetonitrile 41.34
    DMF 178.98
    toluene 5.39
    isobutanol 10.61
    1,4-dioxane 48.27
    methyl acetate 28.83
    THF 57.21
    2-butanone 26.17
    n-pentanol 11.05
    sec-butanol 10.74
    n-hexane 0.62
    ethylene glycol 50.82
    NMP 145.81
    cyclohexane 1.77
    DMSO 312.88
    n-butyl acetate 9.56
    n-octanol 13.71
    chloroform 15.64
    n-propyl acetate 12.69
    acetic acid 32.89
    dichloromethane 42.48
    cyclohexanone 36.52
    propylene glycol 16.85
    isopropyl acetate 8.81
    DMAc 172.84
    2-ethoxyethanol 49.55
    isopentanol 10.61
    n-heptane 2.18
    ethyl formate 24.61
    1,2-dichloroethane 31.62
    n-hexanol 10.61
    2-methoxyethanol 81.64
    isobutyl acetate 6.09
    tetrachloromethane 3.78
    n-pentyl acetate 10.66
    transcutol 43.53
    n-heptanol 12.16
    ethylbenzene 5.6
    MIBK 10.05
    2-propoxyethanol 35.66
    tert-butanol 25.09
    MTBE 8.31
    2-butoxyethanol 29.44
    propionic acid 16.8
    o-xylene 8.39
    formic acid 76.82
    diethyl ether 8.69
    m-xylene 6.52
    p-xylene 8.5
    chlorobenzene 10.01
    dimethyl carbonate 27.18
    n-octane 1.62
    formamide 161.16
    cyclopentanone 58.42
    2-pentanone 14.98
    anisole 18.07
    cyclopentyl methyl ether 15.84
    gamma-butyrolactone 74.3
    1-methoxy-2-propanol 38.69
    pyridine 38.17
    3-pentanone 14.12
    furfural 76.48
    n-dodecane 1.66
    diethylene glycol 63.08
    diisopropyl ether 3.14
    tert-amyl alcohol 14.56
    acetylacetone 28.03
    n-hexadecane 1.85
    acetophenone 26.45
    methyl propionate 19.95
    isopentyl acetate 9.43
    trichloroethylene 41.89
    n-nonanol 13.5
    cyclohexanol 13.84
    benzyl alcohol 22.7
    2-ethylhexanol 8.52
    isooctanol 10.35
    dipropyl ether 9.27
    1,2-dichlorobenzene 14.23
    ethyl lactate 16.83
    propylene carbonate 28.42
    n-methylformamide 98.21
    2-pentanol 6.93
    n-pentane 0.83
    1-propoxy-2-propanol 20.72
    1-methoxy-2-propyl acetate 16.6
    2-(2-methoxypropoxy) propanol 31.2
    mesitylene 4.91
    ε-caprolactone 30.45
    p-cymene 6.44
    epichlorohydrin 70.11
    1,1,1-trichloroethane 12.24
    2-aminoethanol 37.99
    morpholine-4-carbaldehyde 115.54
    sulfolane 114.81
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 25.1
    n-hexyl acetate 14.06
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 33.39
    sec-butyl acetate 6.85
    tert-butyl acetate 10.31
    decalin 1.21
    glycerin 44.68
    diglyme 65.18
    acrylic acid 23.48
    isopropyl myristate 8.54
    n-butyric acid 14.38
    acetyl acetate 12.29
    di(2-ethylhexyl) phthalate 12.72
    ethyl propionate 12.03
    nitromethane 116.72
    1,2-diethoxyethane 15.15
    benzonitrile 22.7
    trioctyl phosphate 10.55
    1-bromopropane 8.7
    gamma-valerolactone 80.52
    n-decanol 11.15
    triethyl phosphate 12.24
    4-methyl-2-pentanol 5.7
    propionitrile 21.95
    vinylene carbonate 31.94
    1,1,2-trichlorotrifluoroethane 59.19
    DMS 17.12
    cumene 5.22
    2-octanol 8.27
    2-hexanone 13.22
    octyl acetate 11.4
    limonene 7.2
    1,2-dimethoxyethane 71.36
    ethyl orthosilicate 10.68
    tributyl phosphate 9.51
    diacetone alcohol 23.53
    N,N-dimethylaniline 19.82
    acrylonitrile 43.46
    aniline 14.41
    1,3-propanediol 34.4
    bromobenzene 8.97
    dibromomethane 17.68
    1,1,2,2-tetrachloroethane 31.79
    2-methyl-cyclohexyl acetate 12.28
    tetrabutyl urea 18.99
    diisobutyl methanol 6.53
    2-phenylethanol 19.03
    styrene 6.1
    dioctyl adipate 14.41
    dimethyl sulfate 54.68
    ethyl butyrate 11.3
    methyl lactate 25.34
    butyl lactate 11.8
    diethyl carbonate 10.67
    propanediol butyl ether 22.2
    triethyl orthoformate 11.11
    p-tert-butyltoluene 5.75
    methyl 4-tert-butylbenzoate 27.33
    morpholine 46.91
    tert-butylamine 11.01
    n-dodecanol 9.18
    dimethoxymethane 69.96
    ethylene carbonate 25.1
    cyrene 45.27
    2-ethoxyethyl acetate 16.18
    2-ethylhexyl acetate 7.47
    1,2,4-trichlorobenzene 18.26
    4-methylpyridine 29.05
    dibutyl ether 8.62
    2,6-dimethyl-4-heptanol 6.53
    DEF 35.33
    dimethyl isosorbide 47.69
    tetrachloroethylene 24.65
    eugenol 29.18
    triacetin 21.57
    span 80 20.86
    1,4-butanediol 23.74
    1,1-dichloroethane 14.16
    2-methyl-1-pentanol 9.21
    methyl formate 83.74
    2-methyl-1-butanol 9.18
    n-decane 2.37
    butyronitrile 15.36
    3,7-dimethyl-1-octanol 10.54
    1-chlorooctane 6.58
    1-chlorotetradecane 3.68
    n-nonane 2.16
    undecane 1.94
    tert-butylcyclohexane 0.86
    cyclooctane 1.13
    cyclopentanol 19.04
    tetrahydropyran 18.01
    tert-amyl methyl ether 8.52
    2,5,8-trioxanonane 55.8
    1-hexene 2.15
    2-isopropoxyethanol 29.0
    2,2,2-trifluoroethanol 32.39
    methyl butyrate 17.82

    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