2,3-Dimethylanthraquinone

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  • Identifiers

    CAS number
    6531-35-7

    Molecular formula
    C16H12O2

    SMILES
    CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 48.14%
    Phenolic 40.22%
    Powdery 33.87%
    Floral 31.98%
    Bitter 29.16%
    Neroli 28.4%
    Coumarinic 28.01%
    Hay 27.88%
    Herbal 26.85%
    Spicy 26.59%

     

    Flavor
    Bitter 89.77%
    Lovage 19.56%
    Very strong 19.44%
    Nitrile 19.07%
    Indole 18.97%
    Cedarleaf 18.31%
    Red fruit 17.82%
    Parsley 17.8%
    Ripe apricot 17.79%
    Flat 17.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.99 (neutral)

    Molecular weight
    236.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    402°C

    Flash point

    • 194.15 ˚C est.

  • Synonyms

    • 2,3-Dimethylanthraquinone
    • 6531-35-7
    • 9,10-Anthracenedione, 2,3-dimethyl-
    • DTXSID20215654
    • RefChem:1059470
    • DTXCID50138145
    • 624-209-7
    • 2,3-dimethylanthracene-9,10-dione
    • MFCD00045379
    • 2,3-DIMETHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE
    • 2,3-Dimethylanthra-9,10-quinone
    • 2,3-Dimethyl-9,10-anthracenedione
    • 9, 2,3-dimethyl-
    • 2,3-dimethyl-anthraquinone
    • SCHEMBL56435
    • orb1683819
    • 2,3-Dimethylanthraquinone, 98%
    • NSC76612
    • NSC 76612
    • NSC-76612
    • 2,3-dimethyl-anthracene-9,10-dione
    • 2,3-Dimethylanthra-9,10-quinone #
    • AKOS015842422
    • SB66642
    • AS-58492
    • SY052227
    • DB-054797
    • D2980
    • ST50409265
    • T71182
    • 531D357
    • AE-641/00352056
    • InChI=1/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H
    • 6531-35-7

  • Applications

    2,3-Dimethylanthraquinone (CAS 6531-35-7) is used as an intermediate in organic synthesis, providing a building block for the production of dyes and pigment precursors; it may also serve as a starting material for pharmaceutical and agrochemical intermediates. In industry, it is encountered in coatings and inks as a pigment precursor, and in polymers/plastics formulations as a specialty intermediate. The compound is also evaluated in research and development settings as a precursor for functional materials and advanced polymer architectures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.36
    methanol 1.76
    isopropanol 1.55
    water 0.01
    ethyl acetate 18.16
    n-propanol 2.48
    acetone 13.5
    n-butanol 2.29
    acetonitrile 5.87
    DMF 87.16
    toluene 25.44
    isobutanol 1.91
    1,4-dioxane 28.11
    methyl acetate 24.67
    THF 36.58
    2-butanone 22.99
    n-pentanol 2.32
    sec-butanol 1.58
    n-hexane 0.42
    ethylene glycol 0.69
    NMP 71.85
    cyclohexane 0.92
    DMSO 10.3
    n-butyl acetate 23.29
    n-octanol 2.54
    chloroform 63.19
    n-propyl acetate 16.38
    acetic acid 6.54
    dichloromethane 61.28
    cyclohexanone 39.21
    propylene glycol 0.65
    isopropyl acetate 17.03
    DMAc 105.84
    2-ethoxyethanol 7.7
    isopentanol 3.4
    n-heptane 0.58
    ethyl formate 10.7
    1,2-dichloroethane 47.17
    n-hexanol 5.11
    2-methoxyethanol 10.73
    isobutyl acetate 15.45
    tetrachloromethane 6.3
    n-pentyl acetate 16.71
    transcutol 24.63
    n-heptanol 4.49
    ethylbenzene 16.91
    MIBK 16.55
    2-propoxyethanol 16.78
    tert-butanol 3.41
    MTBE 6.65
    2-butoxyethanol 12.41
    propionic acid 5.73
    o-xylene 19.34
    formic acid 2.32
    diethyl ether 8.17
    m-xylene 15.74
    p-xylene 21.49
    chlorobenzene 25.59
    dimethyl carbonate 25.18
    n-octane 0.56
    formamide 8.49
    cyclopentanone 53.0
    2-pentanone 16.88
    anisole 30.34
    cyclopentyl methyl ether 16.43
    gamma-butyrolactone 55.85
    1-methoxy-2-propanol 8.68
    pyridine 61.88
    3-pentanone 21.87
    furfural 62.93
    n-dodecane 0.47
    diethylene glycol 10.01
    diisopropyl ether 4.34
    tert-amyl alcohol 3.13
    acetylacetone 32.51
    n-hexadecane 0.61
    acetophenone 38.82
    methyl propionate 21.37
    isopentyl acetate 29.33
    trichloroethylene 126.81
    n-nonanol 3.28
    cyclohexanol 3.15
    benzyl alcohol 14.56
    2-ethylhexanol 5.72
    isooctanol 4.97
    dipropyl ether 8.32
    1,2-dichlorobenzene 35.31
    ethyl lactate 7.71
    propylene carbonate 31.78
    n-methylformamide 16.03
    2-pentanol 1.68
    n-pentane 0.27
    1-propoxy-2-propanol 10.77
    1-methoxy-2-propyl acetate 33.96
    2-(2-methoxypropoxy) propanol 14.99
    mesitylene 10.39
    ε-caprolactone 34.33
    p-cymene 11.2
    epichlorohydrin 67.92
    1,1,1-trichloroethane 35.73
    2-aminoethanol 1.62
    morpholine-4-carbaldehyde 64.23
    sulfolane 47.7
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 18.93
    n-hexyl acetate 15.25
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 14.24
    sec-butyl acetate 16.56
    tert-butyl acetate 24.42
    decalin 1.85
    glycerin 2.1
    diglyme 43.04
    acrylic acid 7.68
    isopropyl myristate 8.95
    n-butyric acid 8.81
    acetyl acetate 20.62
    di(2-ethylhexyl) phthalate 10.96
    ethyl propionate 18.09
    nitromethane 28.55
    1,2-diethoxyethane 18.31
    benzonitrile 22.44
    trioctyl phosphate 6.09
    1-bromopropane 13.1
    gamma-valerolactone 71.31
    n-decanol 2.57
    triethyl phosphate 16.74
    4-methyl-2-pentanol 2.75
    propionitrile 8.75
    vinylene carbonate 36.96
    1,1,2-trichlorotrifluoroethane 33.41
    DMS 35.05
    cumene 11.2
    2-octanol 3.06
    2-hexanone 16.2
    octyl acetate 9.13
    limonene 10.12
    1,2-dimethoxyethane 32.05
    ethyl orthosilicate 15.44
    tributyl phosphate 8.22
    diacetone alcohol 19.69
    N,N-dimethylaniline 23.39
    acrylonitrile 18.14
    aniline 17.3
    1,3-propanediol 3.06
    bromobenzene 30.62
    dibromomethane 28.97
    1,1,2,2-tetrachloroethane 72.25
    2-methyl-cyclohexyl acetate 21.77
    tetrabutyl urea 13.46
    diisobutyl methanol 5.48
    2-phenylethanol 21.03
    styrene 18.31
    dioctyl adipate 13.19
    dimethyl sulfate 41.06
    ethyl butyrate 19.18
    methyl lactate 9.19
    butyl lactate 10.6
    diethyl carbonate 17.08
    propanediol butyl ether 5.38
    triethyl orthoformate 16.38
    p-tert-butyltoluene 10.32
    methyl 4-tert-butylbenzoate 29.97
    morpholine 26.37
    tert-butylamine 2.17
    n-dodecanol 2.07
    dimethoxymethane 32.37
    ethylene carbonate 25.73
    cyrene 20.58
    2-ethoxyethyl acetate 27.51
    2-ethylhexyl acetate 25.29
    1,2,4-trichlorobenzene 44.63
    4-methylpyridine 50.19
    dibutyl ether 6.24
    2,6-dimethyl-4-heptanol 5.48
    DEF 34.46
    dimethyl isosorbide 48.02
    tetrachloroethylene 50.71
    eugenol 25.96
    triacetin 20.13
    span 80 9.47
    1,4-butanediol 1.26
    1,1-dichloroethane 21.73
    2-methyl-1-pentanol 4.03
    methyl formate 14.59
    2-methyl-1-butanol 2.57
    n-decane 0.75
    butyronitrile 6.33
    3,7-dimethyl-1-octanol 4.16
    1-chlorooctane 3.62
    1-chlorotetradecane 1.92
    n-nonane 0.57
    undecane 0.57
    tert-butylcyclohexane 1.63
    cyclooctane 0.49
    cyclopentanol 4.0
    tetrahydropyran 15.96
    tert-amyl methyl ether 7.24
    2,5,8-trioxanonane 30.9
    1-hexene 2.54
    2-isopropoxyethanol 7.48
    2,2,2-trifluoroethanol 6.02
    methyl butyrate 21.15

    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