Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride

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  • Identifiers

    CAS number
    94158-14-2

    Molecular formula
    C9H12ClNO3

    SMILES
    C1OC2=C(O1)C=C(C=C2)NCCO.Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 41.83%
    Sweet 35.3%
    Savory 27.03%
    Vanilla 24.1%
    Animal 22.82%
    Fishy 22.41%
    Meaty 21.7%
    Cooked 17.86%
    Bitter 17.67%
    Milky 17.12%

     

    Flavor
    Bitter 60.58%
    Sweet 44.54%
    Odorless 30.41%
    Mild 27.6%
    Sweet-like 24.91%
    Vanilla 22.63%
    Bland 22.46%
    Creamy 21.37%
    Smoked 21.24%
    Naphthalic 21.18%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.32 (neutral)

    Molecular weight
    217.65 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 170.81 ˚C est.

  • Synonyms

    • 94158-14-2
    • N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride
    • 2-(1,3-Benzodioxol-5-ylamino)ethanol hydrochloride
    • Hydroxyethyl-3,4-methylenedioxyaniline HCl
    • Ethanol, 2-(1,3-benzodioxol-5-ylamino)-, hydrochloride
    • 8IRK9YBY3K
    • COLOREX MDOX
    • EINECS 303-085-5
    • hydroxyethyl-3,4-methylenedioxyaniline hydrochloride
    • DTXSID20240825
    • 4-(2-HYDROXYETHYL)AMINO-1,2-METHYLENEDIOXYBENZENE HYDROCHLORIDE
    • ETHANOL, 2-(1,3-BENZODIOXOL-5-YLAMINO)-, HYDROCHLORIDE (1:1)
    • RefChem:789477
    • DTXCID50163316
    • HYDROXYETHYL-3,4-METHYLENEDIOXYANILINE HCL [INCI]
    • 2-(Benzo[d][1,3]dioxol-5-ylamino)ethanol hydrochloride
    • 2-(1,3-benzodioxol-5-ylamino)ethanol;hydrochloride
    • MFCD07779259
    • 2-(Benzo[d][1,3]dioxol-5-ylamino)ethanolhydrochloride
    • 2-(Benzo[d][1,3]dioxol-5-ylamino)-ethanol hydrochloride
    • UNII-8IRK9YBY3K
    • SCHEMBL697970
    • 2-(BENZO[D][1,3]DIOXOL-5-YLAMINO)ETHANOL HCL
    • 5-[(2-hydroxyethyl)amino]-1,3-benzodioxol hydrochloride
    • SCHEMBL29358228
    • MSK15624A
    • LMONVTDNVNEAQG-UHFFFAOYSA-N
    • UDA15814
    • AKOS015904649
    • DS-1996
    • SY113591
    • CS-0155721
    • NS00022897
    • 158B142
    • Q27270599
    • 3,4-Methylenedioxy-1-(2-hydroxyethyl)aniline hydrochloride
    • 2-[(2H-1,3-benzodioxol-5-yl)amino]ethan-1-ol hydrochloride
    • 2-(Benzo[d][1 pound not3]dioxol-5-ylamino)ethanol hydrochloride
    • 2-[(2H-1,3-Benzodioxol-5-yl)amino]ethan-1-ol--hydrogen chloride (1/1)
    • 94158-14-2

  • Applications

    Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride (CAS number: 94158-14-2) is predominantly used as an organic synthesis intermediate in colorant chemistry. It serves as a building block for azo dyes and related pigments used in textiles, coatings, and inks. The hydrochloride salt improves water solubility and handling in aqueous formulations and purification steps. It is commonly employed as a precursor for polymer colorants in plastics and elastomers, and may serve in pharmaceutical or agrochemical synthesis where the aniline core is further functionalized to access more complex compounds. Overall, its primary role is in the preparation of colorants and specialty chemicals for industrial applications, with usage governed by regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.03
    methanol 87.17
    isopropanol 21.37
    water 21.66
    ethyl acetate 26.1
    n-propanol 21.93
    acetone 37.6
    n-butanol 19.87
    acetonitrile 30.39
    DMF 306.14
    toluene 2.43
    isobutanol 16.36
    1,4-dioxane 53.85
    methyl acetate 24.97
    THF 52.24
    2-butanone 18.6
    n-pentanol 16.77
    sec-butanol 14.54
    n-hexane 0.19
    ethylene glycol 154.94
    NMP 117.46
    cyclohexane 0.61
    DMSO 421.89
    n-butyl acetate 12.92
    n-octanol 10.2
    chloroform 17.42
    n-propyl acetate 15.17
    acetic acid 160.91
    dichloromethane 24.16
    cyclohexanone 35.13
    propylene glycol 83.39
    isopropyl acetate 14.15
    DMAc 255.27
    2-ethoxyethanol 127.21
    isopentanol 21.14
    n-heptane 0.73
    ethyl formate 34.79
    1,2-dichloroethane 18.34
    n-hexanol 15.62
    2-methoxyethanol 215.79
    isobutyl acetate 10.51
    tetrachloromethane 3.11
    n-pentyl acetate 8.55
    transcutol 162.89
    n-heptanol 9.78
    ethylbenzene 2.02
    MIBK 13.84
    2-propoxyethanol 68.73
    tert-butanol 39.76
    MTBE 8.88
    2-butoxyethanol 35.7
    propionic acid 47.14
    o-xylene 3.88
    formic acid 320.71
    diethyl ether 6.26
    m-xylene 3.83
    p-xylene 3.5
    chlorobenzene 6.22
    dimethyl carbonate 27.06
    n-octane 0.53
    formamide 326.91
    cyclopentanone 46.86
    2-pentanone 16.21
    anisole 12.23
    cyclopentyl methyl ether 15.64
    gamma-butyrolactone 76.57
    1-methoxy-2-propanol 107.92
    pyridine 27.37
    3-pentanone 10.6
    furfural 104.5
    n-dodecane 0.7
    diethylene glycol 147.34
    diisopropyl ether 2.96
    tert-amyl alcohol 24.57
    acetylacetone 41.48
    n-hexadecane 0.77
    acetophenone 19.88
    methyl propionate 26.89
    isopentyl acetate 14.39
    trichloroethylene 34.78
    n-nonanol 10.24
    cyclohexanol 17.17
    benzyl alcohol 24.29
    2-ethylhexanol 9.74
    isooctanol 9.31
    dipropyl ether 7.22
    1,2-dichlorobenzene 9.07
    ethyl lactate 29.3
    propylene carbonate 42.58
    n-methylformamide 156.14
    2-pentanol 10.29
    n-pentane 0.23
    1-propoxy-2-propanol 38.08
    1-methoxy-2-propyl acetate 28.41
    2-(2-methoxypropoxy) propanol 49.35
    mesitylene 3.16
    ε-caprolactone 36.36
    p-cymene 4.12
    epichlorohydrin 69.53
    1,1,1-trichloroethane 9.45
    2-aminoethanol 117.77
    morpholine-4-carbaldehyde 137.74
    sulfolane 114.99
    2,2,4-trimethylpentane 0.45
    2-methyltetrahydrofuran 23.12
    n-hexyl acetate 12.65
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 58.94
    sec-butyl acetate 9.12
    tert-butyl acetate 15.43
    decalin 0.6
    glycerin 218.83
    diglyme 103.29
    acrylic acid 68.58
    isopropyl myristate 7.46
    n-butyric acid 50.11
    acetyl acetate 23.08
    di(2-ethylhexyl) phthalate 13.79
    ethyl propionate 13.87
    nitromethane 221.35
    1,2-diethoxyethane 22.72
    benzonitrile 20.1
    trioctyl phosphate 9.7
    1-bromopropane 4.19
    gamma-valerolactone 99.25
    n-decanol 8.42
    triethyl phosphate 13.09
    4-methyl-2-pentanol 9.19
    propionitrile 17.96
    vinylene carbonate 43.97
    1,1,2-trichlorotrifluoroethane 115.46
    DMS 19.54
    cumene 2.61
    2-octanol 6.39
    2-hexanone 11.61
    octyl acetate 10.01
    limonene 5.19
    1,2-dimethoxyethane 91.28
    ethyl orthosilicate 11.54
    tributyl phosphate 11.63
    diacetone alcohol 40.45
    N,N-dimethylaniline 11.99
    acrylonitrile 37.6
    aniline 14.31
    1,3-propanediol 111.86
    bromobenzene 4.75
    dibromomethane 9.62
    1,1,2,2-tetrachloroethane 28.82
    2-methyl-cyclohexyl acetate 14.3
    tetrabutyl urea 17.69
    diisobutyl methanol 7.07
    2-phenylethanol 19.76
    styrene 2.35
    dioctyl adipate 14.25
    dimethyl sulfate 65.54
    ethyl butyrate 13.25
    methyl lactate 56.28
    butyl lactate 18.02
    diethyl carbonate 13.09
    propanediol butyl ether 44.09
    triethyl orthoformate 13.35
    p-tert-butyltoluene 3.77
    methyl 4-tert-butylbenzoate 23.78
    morpholine 75.57
    tert-butylamine 11.23
    n-dodecanol 7.02
    dimethoxymethane 79.25
    ethylene carbonate 34.21
    cyrene 48.31
    2-ethoxyethyl acetate 18.78
    2-ethylhexyl acetate 10.05
    1,2,4-trichlorobenzene 12.5
    4-methylpyridine 20.91
    dibutyl ether 7.11
    2,6-dimethyl-4-heptanol 7.07
    DEF 43.65
    dimethyl isosorbide 56.05
    tetrachloroethylene 19.61
    eugenol 31.53
    triacetin 24.8
    span 80 31.65
    1,4-butanediol 64.82
    1,1-dichloroethane 9.59
    2-methyl-1-pentanol 16.63
    methyl formate 102.53
    2-methyl-1-butanol 17.84
    n-decane 0.89
    butyronitrile 17.87
    3,7-dimethyl-1-octanol 11.33
    1-chlorooctane 3.56
    1-chlorotetradecane 2.11
    n-nonane 0.74
    undecane 0.77
    tert-butylcyclohexane 0.53
    cyclooctane 0.38
    cyclopentanol 22.05
    tetrahydropyran 15.69
    tert-amyl methyl ether 8.84
    2,5,8-trioxanonane 84.15
    1-hexene 0.84
    2-isopropoxyethanol 59.42
    2,2,2-trifluoroethanol 103.66
    methyl butyrate 20.4

    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