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 56.94%
    Savory 28.87%
    Meaty 23.98%
    Fishy 23.85%
    Burnt 22.36%
    Bitter 21.95%
    Animal 21.52%
    Cooked 20.91%
    Cooling 18.39%
    Cheesy 18.0%

     

    Flavor
    Bitter 87.4%
    Odorless 27.23%
    Nitrile 20.13%
    Very strong 19.3%
    Cedarleaf 19.29%
    Sweet-like 19.21%
    Indole 19.1%
    Lovage 18.76%
    Orange flower 18.47%
    Bland 18.17%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.15 (neutral)

    Molecular weight
    302.75 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    584°C

    Flash point

    • 261.57 ˚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 3.21
    methanol 4.56
    isopropanol 1.55
    water 0.13
    ethyl acetate 6.99
    n-propanol 2.33
    acetone 9.61
    n-butanol 2.49
    acetonitrile 5.46
    DMF 93.16
    toluene 2.01
    isobutanol 1.63
    1,4-dioxane 7.29
    methyl acetate 6.87
    THF 12.84
    2-butanone 7.49
    n-pentanol 2.84
    sec-butanol 1.08
    n-hexane 0.03
    ethylene glycol 6.63
    NMP 73.01
    cyclohexane 0.08
    DMSO 46.62
    n-butyl acetate 6.96
    n-octanol 1.42
    chloroform 21.13
    n-propyl acetate 6.56
    acetic acid 21.31
    dichloromethane 23.94
    cyclohexanone 21.17
    propylene glycol 3.33
    isopropyl acetate 5.1
    DMAc 87.12
    2-ethoxyethanol 11.72
    isopentanol 3.09
    n-heptane 0.05
    ethyl formate 11.9
    1,2-dichloroethane 18.72
    n-hexanol 3.39
    2-methoxyethanol 24.03
    isobutyl acetate 4.45
    tetrachloromethane 1.66
    n-pentyl acetate 5.79
    transcutol 15.68
    n-heptanol 2.94
    ethylbenzene 1.56
    MIBK 5.5
    2-propoxyethanol 15.76
    tert-butanol 2.2
    MTBE 0.8
    2-butoxyethanol 11.63
    propionic acid 8.42
    o-xylene 1.85
    formic acid 20.86
    diethyl ether 1.02
    m-xylene 1.72
    p-xylene 2.25
    chlorobenzene 7.72
    dimethyl carbonate 17.37
    n-octane 0.05
    formamide 34.43
    cyclopentanone 30.68
    2-pentanone 7.07
    anisole 4.56
    cyclopentyl methyl ether 3.79
    gamma-butyrolactone 42.45
    1-methoxy-2-propanol 13.35
    pyridine 20.48
    3-pentanone 5.44
    furfural 59.15
    n-dodecane 0.08
    diethylene glycol 24.98
    diisopropyl ether 0.43
    tert-amyl alcohol 1.56
    acetylacetone 17.55
    n-hexadecane 0.1
    acetophenone 12.24
    methyl propionate 9.78
    isopentyl acetate 7.05
    trichloroethylene 52.58
    n-nonanol 1.8
    cyclohexanol 2.93
    benzyl alcohol 10.49
    2-ethylhexanol 2.59
    isooctanol 2.63
    dipropyl ether 1.33
    1,2-dichlorobenzene 10.23
    ethyl lactate 10.11
    propylene carbonate 24.74
    n-methylformamide 29.7
    2-pentanol 1.1
    n-pentane 0.03
    1-propoxy-2-propanol 8.28
    1-methoxy-2-propyl acetate 12.29
    2-(2-methoxypropoxy) propanol 9.77
    mesitylene 1.17
    ε-caprolactone 18.78
    p-cymene 1.89
    epichlorohydrin 40.55
    1,1,1-trichloroethane 7.3
    2-aminoethanol 6.55
    morpholine-4-carbaldehyde 50.51
    sulfolane 61.5
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 4.68
    n-hexyl acetate 4.92
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 11.23
    sec-butyl acetate 4.03
    tert-butyl acetate 5.16
    decalin 0.15
    glycerin 16.91
    diglyme 23.85
    acrylic acid 16.3
    isopropyl myristate 2.34
    n-butyric acid 13.02
    acetyl acetate 10.64
    di(2-ethylhexyl) phthalate 5.7
    ethyl propionate 6.07
    nitromethane 41.18
    1,2-diethoxyethane 4.84
    benzonitrile 14.42
    trioctyl phosphate 3.96
    1-bromopropane 2.31
    gamma-valerolactone 48.8
    n-decanol 1.43
    triethyl phosphate 6.33
    4-methyl-2-pentanol 1.38
    propionitrile 5.58
    vinylene carbonate 29.77
    1,1,2-trichlorotrifluoroethane 58.01
    DMS 11.09
    cumene 1.47
    2-octanol 1.39
    2-hexanone 6.08
    octyl acetate 3.26
    limonene 1.91
    1,2-dimethoxyethane 17.41
    ethyl orthosilicate 5.25
    tributyl phosphate 4.33
    diacetone alcohol 11.33
    N,N-dimethylaniline 4.68
    acrylonitrile 15.84
    aniline 7.41
    1,3-propanediol 9.78
    bromobenzene 6.02
    dibromomethane 8.84
    1,1,2,2-tetrachloroethane 32.31
    2-methyl-cyclohexyl acetate 7.21
    tetrabutyl urea 6.62
    diisobutyl methanol 1.53
    2-phenylethanol 10.86
    styrene 2.09
    dioctyl adipate 5.1
    dimethyl sulfate 37.24
    ethyl butyrate 6.06
    methyl lactate 18.37
    butyl lactate 8.96
    diethyl carbonate 6.18
    propanediol butyl ether 7.39
    triethyl orthoformate 5.48
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 11.34
    morpholine 10.57
    tert-butylamine 0.88
    n-dodecanol 1.13
    dimethoxymethane 21.59
    ethylene carbonate 21.52
    cyrene 20.71
    2-ethoxyethyl acetate 10.12
    2-ethylhexyl acetate 5.53
    1,2,4-trichlorobenzene 13.39
    4-methylpyridine 14.49
    dibutyl ether 1.23
    2,6-dimethyl-4-heptanol 1.53
    DEF 17.4
    dimethyl isosorbide 19.79
    tetrachloroethylene 22.19
    eugenol 14.85
    triacetin 9.57
    span 80 8.17
    1,4-butanediol 4.61
    1,1-dichloroethane 6.6
    2-methyl-1-pentanol 3.22
    methyl formate 25.09
    2-methyl-1-butanol 2.13
    n-decane 0.1
    butyronitrile 5.25
    3,7-dimethyl-1-octanol 1.7
    1-chlorooctane 0.75
    1-chlorotetradecane 0.43
    n-nonane 0.06
    undecane 0.09
    tert-butylcyclohexane 0.11
    cyclooctane 0.04
    cyclopentanol 3.88
    tetrahydropyran 3.61
    tert-amyl methyl ether 1.01
    2,5,8-trioxanonane 17.3
    1-hexene 0.33
    2-isopropoxyethanol 7.32
    2,2,2-trifluoroethanol 18.87
    methyl butyrate 9.14

    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