Benzo-1,3-dioxole-5-methylamine

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  • Identifiers

    CAS number
    2620-50-0

    Molecular formula
    C8H9NO2

    SMILES
    C1OC2=C(O1)C=C(C=C2)CN

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 40.26%
    Phenolic 33.29%
    Animal 33.0%
    Meaty 32.18%
    Smoky 30.59%
    Vanilla 28.01%
    Burnt 25.48%
    Savory 25.37%
    Fishy 25.26%
    Spicy 25.24%

     

    Flavor
    Sweet 60.37%
    Bitter 51.91%
    Woody 36.56%
    Coconut 35.28%
    Spicy 34.05%
    Smoky 34.03%
    Phenolic 32.47%
    Powdery 31.49%
    Spice 31.2%
    Floral 30.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.29 (neutral)

    Molecular weight
    151.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 129.77 ˚C est.

  • Synonyms

    • 1,3-Benzodioxole-5-methanamine
    • Benzo-1,3-dioxole-5-methylamine
    • EINECS 220-056-1
    • DTXSID00180836
    • NSC 75851
    • RefChem:565211
    • DTXCID40103327
    • 220-056-1
    • 2620-50-0
    • benzo[d][1,3]dioxol-5-ylmethanamine
    • 3,4-Methylenedioxybenzylamine
    • 1,3-Benzodioxol-5-ylmethanamine
    • 3,4-(Methylenedioxy)benzylamine
    • 1,3-benzodioxol-5-ylmethylamine
    • 5-(Aminomethyl)-1,3-benzodioxole
    • MFCD00005840
    • 1-(1,3-benzodioxol-5-yl)methanamine
    • 1-(2H-1,3-BENZODIOXOL-5-YL)METHANAMINE
    • NSC-75851
    • 3,4-METHYLENEDIOXY BENZYLAMINE
    • EN300-19047
    • piperonyl amine
    • piperonyl-amine
    • NSC75851
    • (1,3-Benzodioxol-5-yl)methylamine
    • Piperonylamine, 97%
    • 2HC7X6T2RR
    • SCHEMBL57649
    • 3,4-methylenedioxy-benzylamine
    • 3,4-methylenedioxybenzyl amine
    • orb3029872
    • SCHEMBL2774556
    • SCHEMBL11082938
    • SCHEMBL11296637
    • SCHEMBL29463278
    • ZILSBZLQGRBMOR-UHFFFAOYSA-
    • 3,4-(methylenedioxy)-benzylamine
    • benzylamine, 3,4-methylenedioxy-
    • 1 ,3-benzodioxol-5-ylmethylamine
    • BDBM626070
    • (1,3-dioxaindan-5-yl)methanamine
    • (1,3-dioxaindan-5-yl)methylamine
    • (1,3-benzodioxol-5-ylmethyl)amine
    • BB_SC-02862
    • benzo[1,3]dioxol-5-ylmethyl amine
    • STR02208
    • 1,3-Benzodioxol-5-ylmethanamine #
    • 2h-1,3-benzodioxol-5-ylmethylamine
    • SBB002587
    • STK801540
    • (benzo[1,3]dioxol-5-ylmethyl)amine
    • 1-(1,3-dioxaindan-5-yl)methanamine
    • AKOS000119060
    • benzo[d][1,3]dioxol-5-ylmethylamine
    • c-benzo[1,3]dioxol-5-yl-methylamine
    • benzo[d][1,3]dioxol-5-ylmethaneamine
    • CS-W016315
    • EBC-151117
    • FP34611
    • FS-1191
    • SB13499
    • SDCCGMLS-0065921.P001
    • (2H-1,3-benzodioxol-5-yl)methanamine
    • benzo[d]-[1,3]dioxol-5-ylmethanamine
    • SY035065
    • DB-046889
    • NS00028048
    • P1057
    • ST45255373
    • 2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylamine
    • 2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylamine
    • A10198
    • F008877
    • Q27463473
    • F2190-0391
    • Z104472420
    • InChI=1/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
    • MR1
    • 2620-50-0

  • Applications

    Benzo-1,3-dioxole-5-methylamine (CAS 2620-50-0) is commonly regarded as a building-block amine and an organic synthesis intermediate with practical relevance in pharmaceuticals and agrochemicals, in colorant and pigment synthesis, and as a precursor for polymer-based materials, coatings, and inks. It can serve as an intermediate for the preparation of complex molecules and as a platform for developing benzodioxole-containing derivatives or related compounds, subject to applicable regulations and formulation constraints in the region.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.63
    methanol 37.66
    isopropanol 14.56
    water 17.82
    ethyl acetate 14.53
    n-propanol 16.98
    acetone 28.28
    n-butanol 13.06
    acetonitrile 38.12
    DMF 136.39
    toluene 4.37
    isobutanol 12.21
    1,4-dioxane 51.5
    methyl acetate 20.29
    THF 40.3
    2-butanone 16.31
    n-pentanol 10.85
    sec-butanol 9.56
    n-hexane 0.2
    ethylene glycol 55.89
    NMP 80.01
    cyclohexane 0.95
    DMSO 173.91
    n-butyl acetate 8.23
    n-octanol 10.54
    chloroform 41.59
    n-propyl acetate 10.24
    acetic acid 77.94
    dichloromethane 66.5
    cyclohexanone 31.66
    propylene glycol 29.38
    isopropyl acetate 8.91
    DMAc 96.83
    2-ethoxyethanol 46.87
    isopentanol 11.95
    n-heptane 1.13
    ethyl formate 30.98
    1,2-dichloroethane 28.66
    n-hexanol 13.12
    2-methoxyethanol 89.34
    isobutyl acetate 7.09
    tetrachloromethane 6.83
    n-pentyl acetate 8.3
    transcutol 71.6
    n-heptanol 11.93
    ethylbenzene 3.2
    MIBK 9.52
    2-propoxyethanol 39.73
    tert-butanol 20.72
    MTBE 5.29
    2-butoxyethanol 30.33
    propionic acid 27.62
    o-xylene 6.02
    formic acid 101.65
    diethyl ether 5.17
    m-xylene 5.24
    p-xylene 5.69
    chlorobenzene 13.77
    dimethyl carbonate 20.86
    n-octane 0.82
    formamide 141.69
    cyclopentanone 43.26
    2-pentanone 10.56
    anisole 13.89
    cyclopentyl methyl ether 12.5
    gamma-butyrolactone 66.22
    1-methoxy-2-propanol 50.25
    pyridine 39.46
    3-pentanone 9.03
    furfural 90.16
    n-dodecane 1.03
    diethylene glycol 71.82
    diisopropyl ether 2.22
    tert-amyl alcohol 11.55
    acetylacetone 24.71
    n-hexadecane 1.13
    acetophenone 20.32
    methyl propionate 17.1
    isopentyl acetate 8.89
    trichloroethylene 63.35
    n-nonanol 10.72
    cyclohexanol 12.32
    benzyl alcohol 21.41
    2-ethylhexanol 8.7
    isooctanol 10.0
    dipropyl ether 6.89
    1,2-dichlorobenzene 18.39
    ethyl lactate 17.36
    propylene carbonate 38.83
    n-methylformamide 79.77
    2-pentanol 6.28
    n-pentane 0.3
    1-propoxy-2-propanol 23.29
    1-methoxy-2-propyl acetate 16.75
    2-(2-methoxypropoxy) propanol 30.04
    mesitylene 4.11
    ε-caprolactone 28.89
    p-cymene 5.56
    epichlorohydrin 63.6
    1,1,1-trichloroethane 16.11
    2-aminoethanol 47.37
    morpholine-4-carbaldehyde 95.37
    sulfolane 89.21
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 19.66
    n-hexyl acetate 11.67
    isooctane 0.4
    2-(2-butoxyethoxy)ethanol 37.83
    sec-butyl acetate 6.29
    tert-butyl acetate 9.85
    decalin 0.8
    glycerin 82.14
    diglyme 70.42
    acrylic acid 43.31
    isopropyl myristate 6.92
    n-butyric acid 32.37
    acetyl acetate 18.22
    di(2-ethylhexyl) phthalate 13.27
    ethyl propionate 9.89
    nitromethane 127.84
    1,2-diethoxyethane 13.77
    benzonitrile 24.51
    trioctyl phosphate 9.75
    1-bromopropane 6.58
    gamma-valerolactone 66.96
    n-decanol 8.78
    triethyl phosphate 10.62
    4-methyl-2-pentanol 5.87
    propionitrile 19.82
    vinylene carbonate 47.2
    1,1,2-trichlorotrifluoroethane 74.31
    DMS 14.63
    cumene 3.79
    2-octanol 6.76
    2-hexanone 9.08
    octyl acetate 9.48
    limonene 6.21
    1,2-dimethoxyethane 46.66
    ethyl orthosilicate 9.48
    tributyl phosphate 9.33
    diacetone alcohol 23.73
    N,N-dimethylaniline 13.85
    acrylonitrile 43.21
    aniline 16.87
    1,3-propanediol 48.33
    bromobenzene 11.81
    dibromomethane 25.4
    1,1,2,2-tetrachloroethane 39.77
    2-methyl-cyclohexyl acetate 12.69
    tetrabutyl urea 14.68
    diisobutyl methanol 6.35
    2-phenylethanol 19.73
    styrene 3.9
    dioctyl adipate 13.05
    dimethyl sulfate 41.42
    ethyl butyrate 10.67
    methyl lactate 30.34
    butyl lactate 14.07
    diethyl carbonate 10.17
    propanediol butyl ether 26.85
    triethyl orthoformate 10.24
    p-tert-butyltoluene 5.2
    methyl 4-tert-butylbenzoate 24.44
    morpholine 45.87
    tert-butylamine 8.14
    n-dodecanol 7.12
    dimethoxymethane 47.77
    ethylene carbonate 33.61
    cyrene 39.2
    2-ethoxyethyl acetate 15.2
    2-ethylhexyl acetate 6.72
    1,2,4-trichlorobenzene 22.52
    4-methylpyridine 24.76
    dibutyl ether 5.94
    2,6-dimethyl-4-heptanol 6.35
    DEF 27.57
    dimethyl isosorbide 43.62
    tetrachloroethylene 31.08
    eugenol 29.66
    triacetin 21.63
    span 80 25.43
    1,4-butanediol 27.25
    1,1-dichloroethane 17.57
    2-methyl-1-pentanol 9.68
    methyl formate 66.45
    2-methyl-1-butanol 10.51
    n-decane 1.36
    butyronitrile 16.58
    3,7-dimethyl-1-octanol 9.13
    1-chlorooctane 4.48
    1-chlorotetradecane 2.7
    n-nonane 1.1
    undecane 1.16
    tert-butylcyclohexane 0.65
    cyclooctane 0.57
    cyclopentanol 19.16
    tetrahydropyran 14.54
    tert-amyl methyl ether 4.81
    2,5,8-trioxanonane 58.19
    1-hexene 0.9
    2-isopropoxyethanol 27.85
    2,2,2-trifluoroethanol 55.44
    methyl butyrate 14.84

    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