2-Methylanthraquinone

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  • Identifiers

    CAS number
    84-54-8

    Molecular formula
    C15H10O2

    SMILES
    CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 54.39%
    Phenolic 43.11%
    Coumarinic 38.44%
    Powdery 36.62%
    Bitter 35.3%
    Floral 34.25%
    Hay 33.25%
    Almond 28.98%
    Neroli 28.84%
    Herbal 28.2%

     

    Flavor
    Bitter 91.82%
    Lovage 19.55%
    Very strong 19.29%
    Nitrile 19.19%
    Indole 18.75%
    Cedarleaf 17.86%
    Moth ball 17.81%
    Naphthelene 17.64%
    Red fruit 17.54%
    Ripe apricot 17.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.3 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    390°C

    Flash point

    • 194.52 ˚C est.

  • Synonyms

    • 2-Methylanthraquinone
    • 84-54-8
    • Tectoquinone
    • 2-methylanthracene-9,10-dione
    • beta-Methylanthraquinone
    • 2-Methyl-9,10-anthraquinone
    • 9,10-Anthracenedione, 2-methyl-
    • 2-methyl-9,10-anthracenedione
    • DTXSID5041439
    • Q9P233HWAJ
    • NSC-607
    • CHEBI:9427
    • DTXCID3021439
    • RefChem:88253
    • 201-539-6
    • 2-Methyl anthraquinone
    • Techtoquinone
    • Tectochinon
    • Anthraquinone, 2-methyl-
    • 2-Methylanthra-9,10-quinone
    • NSC 607
    • .beta.-Methylanthraquinone
    • MFCD00001235
    • CHEMBL21745
    • 2-methyl-9,10-dihydroanthracene-9,10-dione
    • CCRIS 5484
    • EINECS 201-539-6
    • UNII-Q9P233HWAJ
    • AI3-15182
    • 9, 2-methyl-
    • 2-MAQ
    • SCHEMBL36822
    • SCHEMBL360245
    • 2-methyl-910-anthracenedione
    • NSC607
    • orb1297193
    • SCHEMBL8343367
    • SCHEMBL8527032
    • METHYLANTHRAQUINONE, 2-
    • SCHEMBL29403487
    • SCHEMBL30618448
    • 2-methyl-anthracene-9,10-dione
    • 2-METHYLANTHRAQUINONE [MI]
    • HY-N1739
    • Tox21_302044
    • BDBM50005894
    • SBB057251
    • STL380671
    • AKOS000400281
    • EBC-617439
    • FM40592
    • MSK166897-100T
    • CAS-84-54-8
    • NCGC00255621-01
    • DB-056804
    • CS-0017415
    • EU-0067001
    • M0156
    • NS00004272
    • ST50826790
    • D85134
    • 2-Methylanthraquinone, technical, >=95% (HPLC)
    • AE-641/00352041
    • F240819
    • 2-Methylanthraquinone Solution in Toluene, 100ug/mL
    • Q22984229
    • InChI=1/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H
    • 84-54-8

  • Applications

    2-Methylanthraquinone (CAS 84-54-8) is primarily used as an intermediate in the synthesis of anthraquinone-based dyes and pigments, providing red-to-violet colorants used in textiles, coatings, and inks. It also serves as an intermediate in the production of specialty chemicals and dye precursors. In research and development, it is commonly used as a reference or substrate for organic reactions involving aromatic quinones. It is a building block for functionalized quinone derivatives in chemical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.98
    methanol 1.99
    isopropanol 1.92
    water 0.01
    ethyl acetate 20.81
    n-propanol 3.18
    acetone 23.42
    n-butanol 3.25
    acetonitrile 10.88
    DMF 124.42
    toluene 38.96
    isobutanol 2.8
    1,4-dioxane 34.36
    methyl acetate 29.81
    THF 43.21
    2-butanone 29.59
    n-pentanol 4.09
    sec-butanol 2.21
    n-hexane 0.41
    ethylene glycol 1.16
    NMP 89.94
    cyclohexane 1.04
    DMSO 14.57
    n-butyl acetate 30.61
    n-octanol 6.86
    chloroform 65.94
    n-propyl acetate 22.93
    acetic acid 9.32
    dichloromethane 61.6
    cyclohexanone 64.73
    propylene glycol 1.03
    isopropyl acetate 22.45
    DMAc 121.54
    2-ethoxyethanol 10.38
    isopentanol 5.19
    n-heptane 0.91
    ethyl formate 17.92
    1,2-dichloroethane 62.31
    n-hexanol 9.14
    2-methoxyethanol 15.28
    isobutyl acetate 22.65
    tetrachloromethane 5.82
    n-pentyl acetate 26.64
    transcutol 37.83
    n-heptanol 9.04
    ethylbenzene 23.84
    MIBK 24.28
    2-propoxyethanol 21.62
    tert-butanol 4.91
    MTBE 7.39
    2-butoxyethanol 18.98
    propionic acid 7.53
    o-xylene 25.78
    formic acid 2.88
    diethyl ether 9.01
    m-xylene 24.15
    p-xylene 29.26
    chlorobenzene 41.39
    dimethyl carbonate 30.8
    n-octane 1.09
    formamide 9.61
    cyclopentanone 69.91
    2-pentanone 23.93
    anisole 39.19
    cyclopentyl methyl ether 20.89
    gamma-butyrolactone 69.56
    1-methoxy-2-propanol 11.59
    pyridine 83.79
    3-pentanone 25.08
    furfural 88.17
    n-dodecane 1.25
    diethylene glycol 14.74
    diisopropyl ether 4.88
    tert-amyl alcohol 4.49
    acetylacetone 48.11
    n-hexadecane 1.58
    acetophenone 54.55
    methyl propionate 25.3
    isopentyl acetate 35.8
    trichloroethylene 159.57
    n-nonanol 7.88
    cyclohexanol 5.52
    benzyl alcohol 24.35
    2-ethylhexanol 10.69
    isooctanol 9.24
    dipropyl ether 10.79
    1,2-dichlorobenzene 49.33
    ethyl lactate 12.48
    propylene carbonate 44.96
    n-methylformamide 22.75
    2-pentanol 2.47
    n-pentane 0.27
    1-propoxy-2-propanol 15.48
    1-methoxy-2-propyl acetate 38.52
    2-(2-methoxypropoxy) propanol 24.3
    mesitylene 15.1
    ε-caprolactone 49.1
    p-cymene 16.18
    epichlorohydrin 86.9
    1,1,1-trichloroethane 39.02
    2-aminoethanol 2.24
    morpholine-4-carbaldehyde 77.3
    sulfolane 58.27
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 23.11
    n-hexyl acetate 30.31
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 23.86
    sec-butyl acetate 21.32
    tert-butyl acetate 30.39
    decalin 2.65
    glycerin 3.34
    diglyme 62.3
    acrylic acid 11.33
    isopropyl myristate 15.21
    n-butyric acid 12.87
    acetyl acetate 25.38
    di(2-ethylhexyl) phthalate 17.46
    ethyl propionate 22.93
    nitromethane 36.4
    1,2-diethoxyethane 22.65
    benzonitrile 46.64
    trioctyl phosphate 10.98
    1-bromopropane 15.72
    gamma-valerolactone 91.45
    n-decanol 6.29
    triethyl phosphate 20.12
    4-methyl-2-pentanol 4.31
    propionitrile 13.65
    vinylene carbonate 51.47
    1,1,2-trichlorotrifluoroethane 42.42
    DMS 43.88
    cumene 16.34
    2-octanol 6.85
    2-hexanone 25.24
    octyl acetate 16.3
    limonene 15.46
    1,2-dimethoxyethane 40.26
    ethyl orthosilicate 18.05
    tributyl phosphate 13.53
    diacetone alcohol 28.57
    N,N-dimethylaniline 30.23
    acrylonitrile 29.75
    aniline 25.4
    1,3-propanediol 4.52
    bromobenzene 47.28
    dibromomethane 33.43
    1,1,2,2-tetrachloroethane 91.04
    2-methyl-cyclohexyl acetate 27.67
    tetrabutyl urea 20.92
    diisobutyl methanol 9.32
    2-phenylethanol 33.42
    styrene 26.62
    dioctyl adipate 21.7
    dimethyl sulfate 44.87
    ethyl butyrate 24.61
    methyl lactate 13.64
    butyl lactate 17.94
    diethyl carbonate 21.77
    propanediol butyl ether 10.3
    triethyl orthoformate 20.27
    p-tert-butyltoluene 14.68
    methyl 4-tert-butylbenzoate 40.4
    morpholine 30.72
    tert-butylamine 3.01
    n-dodecanol 5.2
    dimethoxymethane 41.48
    ethylene carbonate 36.3
    cyrene 31.29
    2-ethoxyethyl acetate 37.02
    2-ethylhexyl acetate 30.21
    1,2,4-trichlorobenzene 58.22
    4-methylpyridine 77.01
    dibutyl ether 12.3
    2,6-dimethyl-4-heptanol 9.32
    DEF 46.41
    dimethyl isosorbide 59.16
    tetrachloroethylene 59.9
    eugenol 38.92
    triacetin 31.46
    span 80 16.86
    1,4-butanediol 2.2
    1,1-dichloroethane 29.47
    2-methyl-1-pentanol 6.48
    methyl formate 22.2
    2-methyl-1-butanol 4.09
    n-decane 1.84
    butyronitrile 11.6
    3,7-dimethyl-1-octanol 9.27
    1-chlorooctane 8.99
    1-chlorotetradecane 4.71
    n-nonane 1.45
    undecane 1.47
    tert-butylcyclohexane 2.35
    cyclooctane 0.65
    cyclopentanol 6.37
    tetrahydropyran 20.52
    tert-amyl methyl ether 8.3
    2,5,8-trioxanonane 45.14
    1-hexene 3.29
    2-isopropoxyethanol 10.41
    2,2,2-trifluoroethanol 7.49
    methyl butyrate 29.57

    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