1-Amino-4-((1-methylethyl)amino)anthraquinone

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  • Identifiers

    CAS number
    62649-65-4

    Molecular formula
    C17H16N2O2

    SMILES
    CC(C)NC1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3C2=O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.37%
    Grape 27.12%
    Savory 23.77%
    Burnt 22.78%
    Bitter 22.52%
    Animal 21.99%
    Fruity 21.95%
    Sweet 20.86%
    Meaty 19.46%
    Cooling 19.35%

     

    Flavor
    Bitter 89.39%
    Odorless 25.24%
    Nitrile 19.61%
    Cedarleaf 19.54%
    Very strong 18.68%
    Lovage 18.51%
    Indole 18.42%
    Sweet-like 18.3%
    Heather 17.96%
    Orange flower 17.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.13 (neutral)

    Molecular weight
    280.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    496°C

    Flash point

    • 260.87 ˚C est.

  • Synonyms

    • 62649-65-4
    • 1-Amino-4-((1-methylethyl)amino)anthraquinone
    • 1-amino-4-(propan-2-ylamino)anthracene-9,10-dione
    • 1-AMINO-4-[(1-METHYLETHYL)AMINO]ANTHRAQUINONE
    • 1-AMINO-4-(ISOPROPYLAMINO)ANTHRACENE-9,10-DIONE
    • EINECS 263-672-6
    • SCHEMBL3910548
    • DTXSID70211702
    • XESMZIWBJZMRDK-UHFFFAOYSA-N
    • DB-126831
    • NS00022558
    • 1-Amino-4-[(propan-2-yl)amino]anthracene-9,10-dione
    • 62649-65-4

  • Applications

    1-Amino-4-((1-methylethyl)amino)anthraquinone (CAS 62649-65-4) is primarily used as a dye and pigment intermediate, serving in the synthesis of textile dyes, ink formulations, and coating systems. It is also employed as a pigment-grade colorant or building block in plastics and polymer composites where dispersion and color properties are important. In materials research and development, the compound is evaluated as a redox-active or colorimetric building block for organic electronics and photonic/optoelectronic applications. Additionally, it is used as an intermediate to prepare related anthraquinone derivatives for specialty dye and pigment chemistries. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.12
    methanol 11.12
    isopropanol 5.2
    water 0.05
    ethyl acetate 21.39
    n-propanol 9.57
    acetone 32.96
    n-butanol 9.76
    acetonitrile 18.47
    DMF 236.86
    toluene 7.38
    isobutanol 6.77
    1,4-dioxane 24.24
    methyl acetate 27.75
    THF 86.33
    2-butanone 32.75
    n-pentanol 7.34
    sec-butanol 4.61
    n-hexane 0.1
    ethylene glycol 8.39
    NMP 249.28
    cyclohexane 0.23
    DMSO 121.4
    n-butyl acetate 20.31
    n-octanol 2.42
    chloroform 87.35
    n-propyl acetate 16.94
    acetic acid 37.02
    dichloromethane 82.99
    cyclohexanone 65.52
    propylene glycol 8.72
    isopropyl acetate 13.58
    DMAc 209.27
    2-ethoxyethanol 21.29
    isopentanol 9.78
    n-heptane 0.09
    ethyl formate 25.37
    1,2-dichloroethane 59.93
    n-hexanol 8.22
    2-methoxyethanol 54.27
    isobutyl acetate 12.08
    tetrachloromethane 5.7
    n-pentyl acetate 12.38
    transcutol 22.12
    n-heptanol 5.17
    ethylbenzene 3.63
    MIBK 14.81
    2-propoxyethanol 35.08
    tert-butanol 6.4
    MTBE 3.41
    2-butoxyethanol 20.26
    propionic acid 24.08
    o-xylene 4.3
    formic acid 21.07
    diethyl ether 4.12
    m-xylene 4.67
    p-xylene 5.44
    chlorobenzene 22.03
    dimethyl carbonate 43.09
    n-octane 0.07
    formamide 40.45
    cyclopentanone 132.14
    2-pentanone 24.59
    anisole 11.85
    cyclopentyl methyl ether 18.91
    gamma-butyrolactone 156.31
    1-methoxy-2-propanol 32.74
    pyridine 66.62
    3-pentanone 19.68
    furfural 128.56
    n-dodecane 0.09
    diethylene glycol 35.83
    diisopropyl ether 1.0
    tert-amyl alcohol 5.67
    acetylacetone 41.67
    n-hexadecane 0.11
    acetophenone 24.47
    methyl propionate 36.38
    isopentyl acetate 19.74
    trichloroethylene 168.78
    n-nonanol 2.8
    cyclohexanol 9.44
    benzyl alcohol 20.85
    2-ethylhexanol 5.76
    isooctanol 4.54
    dipropyl ether 3.56
    1,2-dichlorobenzene 23.61
    ethyl lactate 19.01
    propylene carbonate 72.08
    n-methylformamide 75.63
    2-pentanol 3.76
    n-pentane 0.08
    1-propoxy-2-propanol 19.35
    1-methoxy-2-propyl acetate 32.26
    2-(2-methoxypropoxy) propanol 16.93
    mesitylene 2.39
    ε-caprolactone 58.16
    p-cymene 3.63
    epichlorohydrin 159.49
    1,1,1-trichloroethane 29.41
    2-aminoethanol 13.4
    morpholine-4-carbaldehyde 128.04
    sulfolane 192.93
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 30.7
    n-hexyl acetate 11.48
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 17.92
    sec-butyl acetate 10.81
    tert-butyl acetate 13.37
    decalin 0.34
    glycerin 25.23
    diglyme 40.0
    acrylic acid 34.49
    isopropyl myristate 4.32
    n-butyric acid 32.14
    acetyl acetate 20.74
    di(2-ethylhexyl) phthalate 10.39
    ethyl propionate 16.03
    nitromethane 92.92
    1,2-diethoxyethane 8.41
    benzonitrile 27.41
    trioctyl phosphate 7.04
    1-bromopropane 10.1
    gamma-valerolactone 147.22
    n-decanol 2.12
    triethyl phosphate 12.77
    4-methyl-2-pentanol 3.65
    propionitrile 17.81
    vinylene carbonate 70.01
    1,1,2-trichlorotrifluoroethane 117.75
    DMS 25.07
    cumene 2.87
    2-octanol 2.46
    2-hexanone 16.5
    octyl acetate 6.51
    limonene 3.86
    1,2-dimethoxyethane 37.46
    ethyl orthosilicate 10.4
    tributyl phosphate 7.96
    diacetone alcohol 27.84
    N,N-dimethylaniline 9.68
    acrylonitrile 39.6
    aniline 20.93
    1,3-propanediol 20.63
    bromobenzene 19.46
    dibromomethane 36.61
    1,1,2,2-tetrachloroethane 101.94
    2-methyl-cyclohexyl acetate 15.87
    tetrabutyl urea 11.8
    diisobutyl methanol 3.1
    2-phenylethanol 21.41
    styrene 4.96
    dioctyl adipate 9.71
    dimethyl sulfate 91.65
    ethyl butyrate 14.8
    methyl lactate 40.43
    butyl lactate 15.63
    diethyl carbonate 13.46
    propanediol butyl ether 12.78
    triethyl orthoformate 12.11
    p-tert-butyltoluene 2.98
    methyl 4-tert-butylbenzoate 19.76
    morpholine 45.16
    tert-butylamine 2.49
    n-dodecanol 1.56
    dimethoxymethane 61.44
    ethylene carbonate 49.16
    cyrene 38.98
    2-ethoxyethyl acetate 20.47
    2-ethylhexyl acetate 15.44
    1,2,4-trichlorobenzene 35.24
    4-methylpyridine 54.26
    dibutyl ether 2.03
    2,6-dimethyl-4-heptanol 3.1
    DEF 49.7
    dimethyl isosorbide 41.53
    tetrachloroethylene 55.7
    eugenol 23.26
    triacetin 17.55
    span 80 14.74
    1,4-butanediol 8.03
    1,1-dichloroethane 31.12
    2-methyl-1-pentanol 8.32
    methyl formate 57.23
    2-methyl-1-butanol 8.64
    n-decane 0.12
    butyronitrile 16.5
    3,7-dimethyl-1-octanol 3.09
    1-chlorooctane 1.23
    1-chlorotetradecane 0.59
    n-nonane 0.08
    undecane 0.1
    tert-butylcyclohexane 0.26
    cyclooctane 0.08
    cyclopentanol 18.01
    tetrahydropyran 18.46
    tert-amyl methyl ether 3.97
    2,5,8-trioxanonane 26.55
    1-hexene 1.03
    2-isopropoxyethanol 14.14
    2,2,2-trifluoroethanol 26.42
    methyl butyrate 24.95

    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