2-tert-Butylanthraquinone

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  • Identifiers

    CAS number
    84-47-9

    Molecular formula
    C18H16O2

    SMILES
    CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 39.16%
    Phenolic 38.68%
    Sweet 37.04%
    Musk 36.07%
    Dry 34.65%
    Woody 33.62%
    Spicy 31.44%
    Powdery 30.22%
    Balsamic 29.71%
    Camphoreous 24.89%

     

    Flavor
    Bitter 85.11%
    Lovage 19.71%
    Cedarleaf 18.53%
    Red fruit 17.81%
    Parsley 17.76%
    Ripe apricot 17.68%
    Nitrile 17.6%
    Very strong 17.41%
    Indole 17.29%
    Basil 17.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.07 (neutral)

    Molecular weight
    264.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    397°C

    Flash point

    • 189.0 ˚C est.

  • Synonyms

    • 2-tert-Butylanthraquinone
    • 9,10-Anthracenedione, 2-(1,1-dimethylethyl)-
    • EINECS 201-531-2
    • NSC 30548
    • Anthraquinone, 2-tert-butyl
    • DTXSID3058903
    • RefChem:89416
    • DTXCID7048378
    • 201-531-2
    • YTPSFXZMJKMUJE-UHFFFAOYSA-N
    • 84-47-9
    • 2-(tert-butyl)anthracene-9,10-dione
    • 2-tert-butylanthracene-9,10-dione
    • 2-tert-Butyl-9,10-anthraquinone
    • Anthraquinone, 2-tert-butyl-
    • MFCD00001232
    • 2-tert-butyl-9,10-dihydroanthracene-9,10-dione
    • 2-t-butylanthraquinone
    • .beta.-tert-Butylanthraquinone
    • MLS000418531
    • NSC-30548
    • SMR000265034
    • beta-tert-Butylanthraquinone
    • NSC30548
    • 6D4HUF2LSS
    • 2-(1,1-Dimethylethyl)-9,10-anthracenedione
    • SCHEMBL36613
    • cid_66532
    • CHEMBL1525161
    • SCHEMBL29402468
    • 2-tert-Butylanthraquinone, 98%
    • 9, 2-(1,1-dimethylethyl)-
    • BDBM49627
    • HMS2592A20
    • SBB057233
    • 2-tert-Butylanthra-9,10-quinone #
    • AKOS001017450
    • NCGC00246012-01
    • AS-62190
    • NCI60_002583
    • SY049316
    • DB-056792
    • B0816
    • EU-0033206
    • NS00038519
    • ST50997563
    • D86076
    • MLS-0203661.0002
    • EN300-7399929
    • 001B232
    • F464562
    • Z56771666
    • 84-47-9

  • Applications

    2-tert-Butylanthraquinone (CAS 84-47-9) is primarily used as an intermediate in the synthesis of anthraquinone-based dyes and pigments, including vat dyes and industrial pigments; it serves as a building block for specialty pigments intended for coatings, inks, and plastics; the compound is commonly evaluated as a precursor in organic synthesis for colorant-related intermediates and research materials; in addition, it may be explored as a component in advanced material research, including redox-active organic materials or color-oriented applications, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.97
    methanol 28.86
    isopropanol 20.01
    water 0.03
    ethyl acetate 242.66
    n-propanol 45.64
    acetone 179.02
    n-butanol 40.87
    acetonitrile 141.15
    DMF 1117.15
    toluene 329.96
    isobutanol 32.39
    1,4-dioxane 234.92
    methyl acetate 295.31
    THF 517.69
    2-butanone 313.69
    n-pentanol 29.47
    sec-butanol 29.36
    n-hexane 4.88
    ethylene glycol 11.29
    NMP 1028.72
    cyclohexane 7.87
    DMSO 178.69
    n-butyl acetate 170.37
    n-octanol 16.27
    chloroform 791.97
    n-propyl acetate 147.29
    acetic acid 80.32
    dichloromethane 796.13
    cyclohexanone 421.34
    propylene glycol 18.35
    isopropyl acetate 174.52
    DMAc 990.11
    2-ethoxyethanol 88.17
    isopentanol 44.33
    n-heptane 2.86
    ethyl formate 110.18
    1,2-dichloroethane 622.3
    n-hexanol 42.22
    2-methoxyethanol 170.6
    isobutyl acetate 107.75
    tetrachloromethane 42.63
    n-pentyl acetate 94.96
    transcutol 414.26
    n-heptanol 23.54
    ethylbenzene 128.14
    MIBK 156.87
    2-propoxyethanol 158.12
    tert-butanol 31.99
    MTBE 81.75
    2-butoxyethanol 76.65
    propionic acid 91.5
    o-xylene 148.24
    formic acid 30.93
    diethyl ether 118.02
    m-xylene 168.54
    p-xylene 134.3
    chlorobenzene 366.6
    dimethyl carbonate 271.95
    n-octane 1.52
    formamide 114.69
    cyclopentanone 683.23
    2-pentanone 236.08
    anisole 291.26
    cyclopentyl methyl ether 292.84
    gamma-butyrolactone 682.06
    1-methoxy-2-propanol 139.24
    pyridine 626.26
    3-pentanone 262.12
    furfural 569.46
    n-dodecane 1.14
    diethylene glycol 88.57
    diisopropyl ether 41.74
    tert-amyl alcohol 39.61
    acetylacetone 336.17
    n-hexadecane 1.48
    acetophenone 286.46
    methyl propionate 346.28
    isopentyl acetate 171.86
    trichloroethylene 1453.51
    n-nonanol 17.88
    cyclohexanol 52.62
    benzyl alcohol 151.05
    2-ethylhexanol 39.15
    isooctanol 23.44
    dipropyl ether 65.21
    1,2-dichlorobenzene 342.63
    ethyl lactate 79.29
    propylene carbonate 367.72
    n-methylformamide 302.33
    2-pentanol 29.02
    n-pentane 3.52
    1-propoxy-2-propanol 96.74
    1-methoxy-2-propyl acetate 266.36
    2-(2-methoxypropoxy) propanol 118.15
    mesitylene 77.73
    ε-caprolactone 388.11
    p-cymene 45.97
    epichlorohydrin 927.14
    1,1,1-trichloroethane 372.55
    2-aminoethanol 31.25
    morpholine-4-carbaldehyde 709.7
    sulfolane 655.25
    2,2,4-trimethylpentane 4.06
    2-methyltetrahydrofuran 310.13
    n-hexyl acetate 113.68
    isooctane 3.26
    2-(2-butoxyethoxy)ethanol 126.89
    sec-butyl acetate 129.34
    tert-butyl acetate 210.01
    decalin 10.36
    glycerin 37.95
    diglyme 313.82
    acrylic acid 117.44
    isopropyl myristate 43.22
    n-butyric acid 122.77
    acetyl acetate 186.54
    di(2-ethylhexyl) phthalate 53.85
    ethyl propionate 171.63
    nitromethane 380.04
    1,2-diethoxyethane 137.22
    benzonitrile 240.43
    trioctyl phosphate 30.11
    1-bromopropane 222.15
    gamma-valerolactone 725.96
    n-decanol 12.42
    triethyl phosphate 70.99
    4-methyl-2-pentanol 26.58
    propionitrile 155.15
    vinylene carbonate 345.95
    1,1,2-trichlorotrifluoroethane 422.89
    DMS 274.27
    cumene 63.93
    2-octanol 15.29
    2-hexanone 145.76
    octyl acetate 52.6
    limonene 57.01
    1,2-dimethoxyethane 215.78
    ethyl orthosilicate 64.22
    tributyl phosphate 44.2
    diacetone alcohol 187.01
    N,N-dimethylaniline 183.07
    acrylonitrile 305.39
    aniline 267.82
    1,3-propanediol 44.29
    bromobenzene 412.4
    dibromomethane 435.0
    1,1,2,2-tetrachloroethane 907.7
    2-methyl-cyclohexyl acetate 108.4
    tetrabutyl urea 61.76
    diisobutyl methanol 24.36
    2-phenylethanol 146.49
    styrene 171.58
    dioctyl adipate 78.22
    dimethyl sulfate 426.47
    ethyl butyrate 123.85
    methyl lactate 151.94
    butyl lactate 77.31
    diethyl carbonate 91.18
    propanediol butyl ether 59.5
    triethyl orthoformate 81.68
    p-tert-butyltoluene 47.57
    methyl 4-tert-butylbenzoate 155.73
    morpholine 346.33
    tert-butylamine 20.4
    n-dodecanol 9.05
    dimethoxymethane 418.22
    ethylene carbonate 235.18
    cyrene 166.08
    2-ethoxyethyl acetate 186.41
    2-ethylhexyl acetate 140.96
    1,2,4-trichlorobenzene 424.64
    4-methylpyridine 667.3
    dibutyl ether 38.28
    2,6-dimethyl-4-heptanol 24.36
    DEF 464.65
    dimethyl isosorbide 304.77
    tetrachloroethylene 445.32
    eugenol 137.0
    triacetin 156.97
    span 80 77.4
    1,4-butanediol 15.39
    1,1-dichloroethane 372.61
    2-methyl-1-pentanol 42.22
    methyl formate 203.89
    2-methyl-1-butanol 45.8
    n-decane 2.05
    butyronitrile 109.44
    3,7-dimethyl-1-octanol 25.63
    1-chlorooctane 19.08
    1-chlorotetradecane 7.27
    n-nonane 1.78
    undecane 1.47
    tert-butylcyclohexane 8.55
    cyclooctane 3.63
    cyclopentanol 68.5
    tetrahydropyran 225.52
    tert-amyl methyl ether 99.74
    2,5,8-trioxanonane 195.3
    1-hexene 30.83
    2-isopropoxyethanol 72.21
    2,2,2-trifluoroethanol 54.66
    methyl butyrate 206.0

    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