Methylenedioxybenzoyl ethyl PABA

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  • Identifiers

    CAS number
    333432-71-6

    Molecular formula
    C17H15NO5

    SMILES
    CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3

    Safety labels

  • Odor profile

    Fragrance
    Grape 52.72%
    Fruity 52.25%
    Floral 39.33%
    Odorless 35.75%
    Neroli 29.63%
    Berry 26.07%
    Sweet 25.94%
    Citrus 24.77%
    Cooked 23.95%
    Balsamic 23.6%

     

    Flavor
    Bitter 75.21%
    Odorless 31.84%
    Grape 24.29%
    Faint 24.04%
    Wintergreen 23.65%
    Bland 22.68%
    Fruity 22.56%
    Powdery 22.22%
    Orange blossom 21.43%
    Mild 21.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.08 (neutral)

    Molecular weight
    313.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    505°C

    Flash point

    • 203.82 ˚C est.

  • Synonyms

    • Methylenedioxybenzoyl ethyl PABA
    • Foretin AP-1
    • 333432-71-6
    • UNII-5U05P81M8W
    • 5U05P81M8W
    • DTXSID10186965
    • Benzoic acid, 4-((1,3-benzodioxol-5-ylcarbonyl)amino)-, ethyl ester
    • RefChem:158202
    • DTXCID50109456
    • METHYLENEDIOXYBENZOYL ETHYL PABA [INCI]
    • ethyl 4-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate
    • SMR000070101
    • CBMicro_028737
    • Oprea1_244158
    • Oprea1_503611
    • MLS000061231
    • ethyl 4-(1,3-benzodioxole-5-carbonylamino)benzoate
    • CHEMBL1504889
    • HMS2317L18
    • STK415262
    • AKOS000677772
    • BIM-0028530.P001
    • ST50688830
    • Ethyl 4-(2H-1,3-benzodioxole-5-carboxamido)benzoate
    • ethyl 4-(benzo[d][1,3]dioxole-5-carboxamido)benzoate
    • Q27262867
    • ETHYL 4-(2H-1,3-BENZODIOXOLE-5-AMIDO)BENZOATE
    • F2299-0298
    • ethyl 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)benzoate
    • 333432-71-6

  • Applications

    Methylenedioxybenzoyl ethyl PABA (CAS 333432-71-6) is primarily used as a chemical building block and intermediate in organic synthesis, including the preparation of more complex pharmaceutical and fine-chemical compounds. It is commonly evaluated for use as a precursor in UV-absorber and UV-stabilizer systems in polymers, coatings, and cosmetic formulations. The compound can also serve as a dye or pigment precursor for inks and coatings, and as a functional building block in polymer chemistry to enable crosslinking or tailored material properties. In research and development workflows, it is explored to create new active ingredients and formulation libraries, with actual use dependent on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.74
    methanol 6.47
    isopropanol 6.32
    water 0.16
    ethyl acetate 12.14
    n-propanol 5.94
    acetone 26.4
    n-butanol 6.77
    acetonitrile 18.68
    DMF 43.95
    toluene 3.25
    isobutanol 4.74
    1,4-dioxane 30.24
    methyl acetate 14.95
    THF 59.61
    2-butanone 22.0
    n-pentanol 8.61
    sec-butanol 7.61
    n-hexane 0.16
    ethylene glycol 6.62
    NMP 20.74
    cyclohexane 0.28
    DMSO 72.25
    n-butyl acetate 6.47
    n-octanol 6.59
    chloroform 21.7
    n-propyl acetate 10.3
    acetic acid 23.74
    dichloromethane 24.81
    cyclohexanone 30.07
    propylene glycol 6.69
    isopropyl acetate 8.97
    DMAc 93.86
    2-ethoxyethanol 35.66
    isopentanol 7.7
    n-heptane 0.32
    ethyl formate 9.0
    1,2-dichloroethane 14.38
    n-hexanol 4.73
    2-methoxyethanol 40.18
    isobutyl acetate 7.4
    tetrachloromethane 1.22
    n-pentyl acetate 8.85
    transcutol 81.03
    n-heptanol 6.32
    ethylbenzene 2.86
    MIBK 11.28
    2-propoxyethanol 26.74
    tert-butanol 8.41
    MTBE 4.85
    2-butoxyethanol 20.24
    propionic acid 12.53
    o-xylene 2.7
    formic acid 17.23
    diethyl ether 6.08
    m-xylene 2.08
    p-xylene 4.43
    chlorobenzene 6.0
    dimethyl carbonate 15.98
    n-octane 0.39
    formamide 37.97
    cyclopentanone 33.56
    2-pentanone 15.03
    anisole 10.51
    cyclopentyl methyl ether 9.59
    gamma-butyrolactone 34.76
    1-methoxy-2-propanol 32.54
    pyridine 28.82
    3-pentanone 13.0
    furfural 34.82
    n-dodecane 0.61
    diethylene glycol 31.27
    diisopropyl ether 1.76
    tert-amyl alcohol 8.49
    acetylacetone 25.91
    n-hexadecane 0.71
    acetophenone 15.46
    methyl propionate 14.41
    isopentyl acetate 7.88
    trichloroethylene 31.8
    n-nonanol 7.75
    cyclohexanol 9.28
    benzyl alcohol 15.12
    2-ethylhexanol 4.02
    isooctanol 5.8
    dipropyl ether 6.11
    1,2-dichlorobenzene 6.63
    ethyl lactate 12.26
    propylene carbonate 13.7
    n-methylformamide 19.64
    2-pentanol 5.53
    n-pentane 0.1
    1-propoxy-2-propanol 17.79
    1-methoxy-2-propyl acetate 14.71
    2-(2-methoxypropoxy) propanol 27.48
    mesitylene 1.45
    ε-caprolactone 20.44
    p-cymene 2.26
    epichlorohydrin 41.61
    1,1,1-trichloroethane 6.45
    2-aminoethanol 8.5
    morpholine-4-carbaldehyde 45.05
    sulfolane 40.98
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 14.0
    n-hexyl acetate 11.53
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 32.63
    sec-butyl acetate 7.54
    tert-butyl acetate 9.73
    decalin 0.34
    glycerin 19.44
    diglyme 57.83
    acrylic acid 15.01
    isopropyl myristate 7.29
    n-butyric acid 14.66
    acetyl acetate 11.66
    di(2-ethylhexyl) phthalate 9.02
    ethyl propionate 10.05
    nitromethane 57.87
    1,2-diethoxyethane 19.95
    benzonitrile 14.41
    trioctyl phosphate 6.39
    1-bromopropane 4.66
    gamma-valerolactone 50.03
    n-decanol 6.25
    triethyl phosphate 7.81
    4-methyl-2-pentanol 4.13
    propionitrile 15.26
    vinylene carbonate 15.3
    1,1,2-trichlorotrifluoroethane 33.3
    DMS 13.64
    cumene 2.15
    2-octanol 5.1
    2-hexanone 14.26
    octyl acetate 8.63
    limonene 2.56
    1,2-dimethoxyethane 48.86
    ethyl orthosilicate 7.25
    tributyl phosphate 7.6
    diacetone alcohol 18.97
    N,N-dimethylaniline 8.25
    acrylonitrile 24.01
    aniline 9.53
    1,3-propanediol 15.72
    bromobenzene 5.19
    dibromomethane 10.53
    1,1,2,2-tetrachloroethane 23.66
    2-methyl-cyclohexyl acetate 9.58
    tetrabutyl urea 13.17
    diisobutyl methanol 3.43
    2-phenylethanol 11.38
    styrene 3.56
    dioctyl adipate 11.9
    dimethyl sulfate 25.05
    ethyl butyrate 8.66
    methyl lactate 17.27
    butyl lactate 11.08
    diethyl carbonate 7.64
    propanediol butyl ether 16.75
    triethyl orthoformate 9.9
    p-tert-butyltoluene 1.89
    methyl 4-tert-butylbenzoate 16.63
    morpholine 30.71
    tert-butylamine 2.67
    n-dodecanol 5.1
    dimethoxymethane 39.92
    ethylene carbonate 13.02
    cyrene 27.07
    2-ethoxyethyl acetate 15.8
    2-ethylhexyl acetate 5.82
    1,2,4-trichlorobenzene 8.83
    4-methylpyridine 16.73
    dibutyl ether 9.06
    2,6-dimethyl-4-heptanol 3.43
    DEF 22.61
    dimethyl isosorbide 35.35
    tetrachloroethylene 13.49
    eugenol 21.41
    triacetin 21.51
    span 80 17.04
    1,4-butanediol 10.89
    1,1-dichloroethane 8.75
    2-methyl-1-pentanol 8.72
    methyl formate 17.81
    2-methyl-1-butanol 7.08
    n-decane 0.93
    butyronitrile 12.19
    3,7-dimethyl-1-octanol 6.23
    1-chlorooctane 3.41
    1-chlorotetradecane 1.93
    n-nonane 0.71
    undecane 0.73
    tert-butylcyclohexane 0.25
    cyclooctane 0.14
    cyclopentanol 9.37
    tetrahydropyran 15.17
    tert-amyl methyl ether 5.63
    2,5,8-trioxanonane 48.35
    1-hexene 1.24
    2-isopropoxyethanol 23.22
    2,2,2-trifluoroethanol 14.78
    methyl butyrate 12.17

    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