1-((2-Aminoethyl)amino)anthraquinone, monohydrochloride

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  • Identifiers

    CAS number
    97404-13-2

    Molecular formula
    C16H15ClN2O2

    SMILES
    C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCN.Cl

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.94%
    Bitter 25.81%
    Phenolic 20.96%
    Fishy 20.39%
    Animal 19.84%
    Burnt 19.84%
    Savory 17.36%
    Smoky 16.65%
    Musty 15.78%
    Cooling 15.39%

     

    Flavor
    Bitter 63.45%
    Odorless 28.38%
    Mild 23.75%
    Phenolic 22.13%
    Nitrile 21.42%
    Orange flower 20.66%
    Very strong 20.45%
    Indole 20.21%
    Basil 19.75%
    Cedarleaf 19.69%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -341888.78 (strong acid)

    Molecular weight
    302.75 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    570°C

    Flash point

    • 185.21 ˚C est.

  • Synonyms

    • 97404-13-2
    • 1-((2-Aminoethyl)amino)anthraquinone, monohydrochloride
    • EINECS 306-777-5
    • DTXSID40242947
    • WYTHYWAAQAHLGD-UHFFFAOYSA-N
    • NS00066651
    • 1-[(2-Aminoethyl)amino]anthraquinone,monohydrochloride
    • 1-[(2-Aminoethyl)amino]anthracene-9,10-dione--hydrogen chloride (1/1)
    • 97404-13-2

  • Applications

    1-((2-Aminoethyl)amino)anthraquinone, monohydrochloride (CAS 97404-13-2) is primarily used as a synthetic intermediate in the manufacture of dyes and pigments for coatings, inks, and paper; it is regarded as a building block for colorant systems in polymers and plastics; it is evaluated for organic electronic and optical material applications such as organic semiconductors or luminophores; it serves as an intermediate in pharmaceutical synthesis and may be used as a reagent or reference standard in analytical laboratories; these applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.52
    methanol 27.93
    isopropanol 1.53
    water 15.36
    ethyl acetate 0.81
    n-propanol 3.35
    acetone 0.84
    n-butanol 2.69
    acetonitrile 1.04
    DMF 55.35
    toluene 0.07
    isobutanol 1.45
    1,4-dioxane 0.99
    methyl acetate 0.65
    THF 1.0
    2-butanone 0.58
    n-pentanol 2.84
    sec-butanol 0.87
    n-hexane 0.03
    ethylene glycol 58.93
    NMP 35.69
    cyclohexane 0.03
    DMSO 43.12
    n-butyl acetate 1.42
    n-octanol 0.95
    chloroform 4.29
    n-propyl acetate 1.24
    acetic acid 22.63
    dichloromethane 5.64
    cyclohexanone 2.62
    propylene glycol 9.72
    isopropyl acetate 0.6
    DMAc 34.51
    2-ethoxyethanol 14.2
    isopentanol 1.9
    n-heptane 0.04
    ethyl formate 4.88
    1,2-dichloroethane 3.3
    n-hexanol 2.2
    2-methoxyethanol 37.37
    isobutyl acetate 0.74
    tetrachloromethane 0.77
    n-pentyl acetate 1.68
    transcutol 13.29
    n-heptanol 2.23
    ethylbenzene 0.17
    MIBK 0.81
    2-propoxyethanol 13.1
    tert-butanol 0.97
    MTBE 0.1
    2-butoxyethanol 10.39
    propionic acid 6.35
    o-xylene 0.17
    formic acid 141.77
    diethyl ether 0.2
    m-xylene 0.16
    p-xylene 0.24
    chlorobenzene 0.47
    dimethyl carbonate 3.6
    n-octane 0.03
    formamide 127.0
    cyclopentanone 2.69
    2-pentanone 0.76
    anisole 0.51
    cyclopentyl methyl ether 0.41
    gamma-butyrolactone 6.69
    1-methoxy-2-propanol 12.02
    pyridine 1.76
    3-pentanone 0.52
    furfural 19.43
    n-dodecane 0.03
    diethylene glycol 44.34
    diisopropyl ether 0.07
    tert-amyl alcohol 0.7
    acetylacetone 1.81
    n-hexadecane 0.03
    acetophenone 2.25
    methyl propionate 1.64
    isopentyl acetate 1.3
    trichloroethylene 6.49
    n-nonanol 1.05
    cyclohexanol 1.13
    benzyl alcohol 3.71
    2-ethylhexanol 1.02
    isooctanol 1.62
    dipropyl ether 0.42
    1,2-dichlorobenzene 1.32
    ethyl lactate 5.97
    propylene carbonate 5.33
    n-methylformamide 34.99
    2-pentanol 0.68
    n-pentane 0.03
    1-propoxy-2-propanol 5.54
    1-methoxy-2-propyl acetate 3.03
    2-(2-methoxypropoxy) propanol 6.4
    mesitylene 0.16
    ε-caprolactone 3.76
    p-cymene 0.36
    epichlorohydrin 5.1
    1,1,1-trichloroethane 0.63
    2-aminoethanol 33.92
    morpholine-4-carbaldehyde 26.9
    sulfolane 20.57
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.36
    n-hexyl acetate 1.32
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.84
    sec-butyl acetate 0.54
    tert-butyl acetate 0.61
    decalin 0.04
    glycerin 55.16
    diglyme 13.27
    acrylic acid 14.09
    isopropyl myristate 0.59
    n-butyric acid 7.26
    acetyl acetate 1.2
    di(2-ethylhexyl) phthalate 2.81
    ethyl propionate 1.06
    nitromethane 18.43
    1,2-diethoxyethane 1.44
    benzonitrile 2.4
    trioctyl phosphate 2.06
    1-bromopropane 0.53
    gamma-valerolactone 12.57
    n-decanol 0.8
    triethyl phosphate 1.96
    4-methyl-2-pentanol 0.58
    propionitrile 1.38
    vinylene carbonate 8.71
    1,1,2-trichlorotrifluoroethane 36.06
    DMS 2.72
    cumene 0.25
    2-octanol 0.75
    2-hexanone 1.04
    octyl acetate 0.95
    limonene 0.34
    1,2-dimethoxyethane 7.85
    ethyl orthosilicate 1.58
    tributyl phosphate 2.12
    diacetone alcohol 3.51
    N,N-dimethylaniline 1.14
    acrylonitrile 4.69
    aniline 0.95
    1,3-propanediol 24.6
    bromobenzene 0.29
    dibromomethane 2.16
    1,1,2,2-tetrachloroethane 5.72
    2-methyl-cyclohexyl acetate 1.73
    tetrabutyl urea 3.83
    diisobutyl methanol 0.55
    2-phenylethanol 3.79
    styrene 0.19
    dioctyl adipate 1.68
    dimethyl sulfate 11.55
    ethyl butyrate 1.2
    methyl lactate 12.63
    butyl lactate 5.9
    diethyl carbonate 1.46
    propanediol butyl ether 8.69
    triethyl orthoformate 1.43
    p-tert-butyltoluene 0.3
    methyl 4-tert-butylbenzoate 4.26
    morpholine 2.57
    tert-butylamine 0.38
    n-dodecanol 0.59
    dimethoxymethane 9.12
    ethylene carbonate 5.65
    cyrene 14.15
    2-ethoxyethyl acetate 2.87
    2-ethylhexyl acetate 1.0
    1,2,4-trichlorobenzene 1.6
    4-methylpyridine 1.03
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.55
    DEF 5.03
    dimethyl isosorbide 9.14
    tetrachloroethylene 6.63
    eugenol 9.17
    triacetin 3.26
    span 80 6.02
    1,4-butanediol 12.79
    1,1-dichloroethane 0.62
    2-methyl-1-pentanol 2.04
    methyl formate 18.08
    2-methyl-1-butanol 1.53
    n-decane 0.04
    butyronitrile 1.34
    3,7-dimethyl-1-octanol 0.8
    1-chlorooctane 0.22
    1-chlorotetradecane 0.12
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 1.31
    tetrahydropyran 0.3
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 10.21
    1-hexene 0.15
    2-isopropoxyethanol 5.12
    2,2,2-trifluoroethanol 25.08
    methyl butyrate 1.98

    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