9,10-Anthracenedione, 1-amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]-

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  • Identifiers

    CAS number
    71701-33-2

    Molecular formula
    C37H40N2O3

    SMILES
    CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=CC=C(C=C5)C(C)(C)CC(C)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 49.67%
    Musk 48.45%
    Dry 34.66%
    Floral 30.96%
    Animal 30.61%
    Powdery 29.56%
    Amber 28.25%
    Fatty 27.85%
    Woody 27.13%
    Sweet 25.89%

     

    Flavor
    Bitter 83.94%
    Cedarleaf 19.74%
    Parsley 19.23%
    Lovage 18.8%
    Bland 18.69%
    Broom 18.31%
    Red fruit 18.28%
    Heather 18.28%
    Nitrile 18.26%
    Ripe apricot 18.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.9

    pKa est.
    6.78 (neutral)

    Molecular weight
    560.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    176°C

    Flash point

    • 305.13 ˚C est.

  • Synonyms

    • EINECS 275-875-7
    • 9,10-Anthracenedione, 1-amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]-
    • DTXSID7072412
    • 1-AMINO-2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]-4-[(2,4,6-TRIMETHYLPHENYL)AMINO]ANTHRAQUINONE
    • 9,10-Anthracenedione, 1-amino-2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-4-((2,4,6-trimethylphenyl)amino)-
    • 1-Amino-2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-4-((2,4,6-trimethylphenyl)amino)anthraquinone
    • 1-Amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]-9,10-anthracenedione
    • 1-Amino-2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-4-((2,4,6-trimethylphenyl)amino)-9,10-anthracenedione
    • RefChem:548652
    • DTXCID6047105
    • 275-875-7
    • 9,10-Anthracenedione, 1-amino-2-4-(1,1,3,3-tetramethylbutyl)phenoxy-4-(2,4,6-trimethylphenyl)amino-
    • 71701-33-2
    • 1-amino-4-(2,4,6-trimethylanilino)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracene-9,10-dione
    • 1-Amino-4-(mesitylamino)-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)anthracene-9,10-dione
    • 5FBQ5U4PJW
    • RFROTQNVJNTBLU-UHFFFAOYSA-N
    • NS00037275
    • 71701-33-2

  • Applications

    Chemical name: 9,10-Anthracenedione, 1-amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]-; CAS 71701-33-2. This compound is primarily used as an intermediate in the synthesis of organic dyes and pigments, particularly dispersible dyes for textiles and plastics. It may serve as a colorant precursor for coatings and printing inks. It is also employed as a building block in polymer and plastic colorant formulations, contributing to deep hues in formulated systems. In specialty pigment applications, it can be evaluated for use in automotive coatings and other demanding pigmented systems, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.58
    methanol 9.19
    isopropanol 5.13
    water 0.06
    ethyl acetate 19.17
    n-propanol 10.03
    acetone 17.71
    n-butanol 7.71
    acetonitrile 7.04
    DMF 58.32
    toluene 10.56
    isobutanol 6.85
    1,4-dioxane 13.63
    methyl acetate 22.0
    THF 55.55
    2-butanone 24.01
    n-pentanol 7.8
    sec-butanol 6.54
    n-hexane 0.5
    ethylene glycol 3.11
    NMP 99.86
    cyclohexane 0.33
    DMSO 27.26
    n-butyl acetate 12.58
    n-octanol 3.08
    chloroform 99.99
    n-propyl acetate 13.87
    acetic acid 41.36
    dichloromethane 72.13
    cyclohexanone 28.27
    propylene glycol 6.43
    isopropyl acetate 12.99
    DMAc 87.75
    2-ethoxyethanol 17.06
    isopentanol 6.02
    n-heptane 0.52
    ethyl formate 14.66
    1,2-dichloroethane 29.67
    n-hexanol 6.08
    2-methoxyethanol 23.37
    isobutyl acetate 9.66
    tetrachloromethane 9.28
    n-pentyl acetate 12.81
    transcutol 21.41
    n-heptanol 4.92
    ethylbenzene 4.01
    MIBK 10.63
    2-propoxyethanol 25.02
    tert-butanol 4.87
    MTBE 6.6
    2-butoxyethanol 16.86
    propionic acid 21.8
    o-xylene 5.33
    formic acid 17.02
    diethyl ether 7.75
    m-xylene 6.22
    p-xylene 5.21
    chlorobenzene 19.85
    dimethyl carbonate 29.2
    n-octane 0.24
    formamide 16.95
    cyclopentanone 52.17
    2-pentanone 18.55
    anisole 10.28
    cyclopentyl methyl ether 18.7
    gamma-butyrolactone 71.19
    1-methoxy-2-propanol 25.75
    pyridine 27.22
    3-pentanone 18.14
    furfural 58.86
    n-dodecane 0.16
    diethylene glycol 13.6
    diisopropyl ether 2.32
    tert-amyl alcohol 6.15
    acetylacetone 26.02
    n-hexadecane 0.19
    acetophenone 15.73
    methyl propionate 28.62
    isopentyl acetate 11.36
    trichloroethylene 98.97
    n-nonanol 3.42
    cyclohexanol 6.04
    benzyl alcohol 13.4
    2-ethylhexanol 4.2
    isooctanol 4.18
    dipropyl ether 6.61
    1,2-dichlorobenzene 18.7
    ethyl lactate 13.55
    propylene carbonate 38.64
    n-methylformamide 28.96
    2-pentanol 5.23
    n-pentane 0.48
    1-propoxy-2-propanol 18.73
    1-methoxy-2-propyl acetate 24.53
    2-(2-methoxypropoxy) propanol 13.57
    mesitylene 2.53
    ε-caprolactone 33.34
    p-cymene 2.78
    epichlorohydrin 78.68
    1,1,1-trichloroethane 33.05
    2-aminoethanol 7.39
    morpholine-4-carbaldehyde 55.33
    sulfolane 85.14
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 23.15
    n-hexyl acetate 10.58
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 13.56
    sec-butyl acetate 9.57
    tert-butyl acetate 12.92
    decalin 0.38
    glycerin 11.57
    diglyme 26.23
    acrylic acid 28.32
    isopropyl myristate 3.42
    n-butyric acid 25.07
    acetyl acetate 19.14
    di(2-ethylhexyl) phthalate 6.84
    ethyl propionate 13.62
    nitromethane 52.46
    1,2-diethoxyethane 8.68
    benzonitrile 11.95
    trioctyl phosphate 4.53
    1-bromopropane 13.58
    gamma-valerolactone 68.26
    n-decanol 2.23
    triethyl phosphate 7.94
    4-methyl-2-pentanol 3.61
    propionitrile 9.51
    vinylene carbonate 42.89
    1,1,2-trichlorotrifluoroethane 78.18
    DMS 19.4
    cumene 2.62
    2-octanol 3.1
    2-hexanone 13.82
    octyl acetate 5.43
    limonene 3.34
    1,2-dimethoxyethane 21.05
    ethyl orthosilicate 7.37
    tributyl phosphate 5.11
    diacetone alcohol 18.86
    N,N-dimethylaniline 8.59
    acrylonitrile 15.24
    aniline 14.8
    1,3-propanediol 9.26
    bromobenzene 20.04
    dibromomethane 37.05
    1,1,2,2-tetrachloroethane 67.69
    2-methyl-cyclohexyl acetate 9.66
    tetrabutyl urea 6.92
    diisobutyl methanol 2.29
    2-phenylethanol 12.09
    styrene 4.99
    dioctyl adipate 6.85
    dimethyl sulfate 60.43
    ethyl butyrate 10.43
    methyl lactate 27.64
    butyl lactate 15.1
    diethyl carbonate 7.83
    propanediol butyl ether 11.54
    triethyl orthoformate 9.43
    p-tert-butyltoluene 2.66
    methyl 4-tert-butylbenzoate 15.97
    morpholine 22.36
    tert-butylamine 2.2
    n-dodecanol 1.5
    dimethoxymethane 37.39
    ethylene carbonate 28.35
    cyrene 25.18
    2-ethoxyethyl acetate 22.09
    2-ethylhexyl acetate 9.85
    1,2,4-trichlorobenzene 30.11
    4-methylpyridine 27.82
    dibutyl ether 3.01
    2,6-dimethyl-4-heptanol 2.29
    DEF 26.61
    dimethyl isosorbide 27.93
    tetrachloroethylene 40.42
    eugenol 16.55
    triacetin 19.08
    span 80 12.1
    1,4-butanediol 5.57
    1,1-dichloroethane 30.85
    2-methyl-1-pentanol 6.74
    methyl formate 26.6
    2-methyl-1-butanol 7.28
    n-decane 0.34
    butyronitrile 8.08
    3,7-dimethyl-1-octanol 2.92
    1-chlorooctane 2.03
    1-chlorotetradecane 0.67
    n-nonane 0.29
    undecane 0.22
    tert-butylcyclohexane 0.4
    cyclooctane 0.19
    cyclopentanol 11.27
    tetrahydropyran 12.1
    tert-amyl methyl ether 7.51
    2,5,8-trioxanonane 15.68
    1-hexene 2.6
    2-isopropoxyethanol 13.29
    2,2,2-trifluoroethanol 22.64
    methyl butyrate 16.97

    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