Anthraquinone

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  • Identifiers

    CAS number
    84-65-1

    Molecular formula
    C14H8O2

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

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 48.49%
    Phenolic 42.11%
    Coumarinic 33.43%
    Bitter 32.69%
    Balsamic 32.21%
    Herbal 29.92%
    Powdery 28.94%
    Odorless 28.35%
    Burnt 28.04%
    Almond 27.56%

     

    Flavor
    Bitter 91.7%
    Nitrile 19.06%
    Lovage 18.95%
    Very strong 18.81%
    Indole 18.25%
    Moth ball 18.07%
    Naphthelene 17.84%
    Tar 17.62%
    Tarry 17.42%
    Rotten 17.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.62 (neutral)

    Molecular weight
    208.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 547 °F (sublimes) (NTP, 1992)
    • 286 °C
    • Liquid Molar Volume = 0.193625 cu m/kmol; IG Heat of Formation = -9.52X10+7 J/kmol; Heat Fusion at Melting Point = 3.2552X10+7 J/kmol

    Boiling point

    • 714 to 718 °F at 760 mmHg (NTP, 1992)
    • 377 °C at 760 mm Hg
    • 380 °C

    Flash point

    • 190.96 ˚C est.
    • 365 °F (NTP, 1992)
    • 185 °C
    • 365 °F (185 °C) (Closed cup)
    • 185 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • 0.44 g/100 g alc at 25 °C; 2.25 g/100 g boiling alc; 0.11 g/100 g ether at 25 °C; 0.61 g/100 g chloroform at 20 °C; 0.26 g/100 g benzene at 20 °C; 0.30 g/100 g toluene at 25 °C
    • SOL IN CONCN SULFURIC ACID
    • Soluble in acetone
    • In water, 1.353 mg/L at 25 °C
    • Solubility in water: very poor

  • Synonyms

    • ANTHRAQUINONE
    • 84-65-1
    • anthracene-9,10-dione
    • 9,10-Anthraquinone
    • 9,10-Anthracenedione
    • Anthradione
    • Hoelite
    • Morkit
    • 9,10-Dioxoanthracene
    • Corbit
    • 9,10-Anthrachinon
    • Anthrapel
    • Avipel
    • Kawasaki saq
    • DTXSID3020095
    • Anthracene, 9,10-dihydro-9,10-dioxo-
    • 030MS0JBDO
    • EPA Pesticide Chemical Code 122701
    • FLIGHT CONTROL
    • CHEBI:40448
    • NSC-7957
    • DTXCID9095
    • NSC7957
    • Anthranoid
    • Anthranoids
    • Anthraquinones
    • Dianthraquinones
    • Anthraquinone Analogue
    • Anthraquinone Compound
    • Compound, Anthraquinone
    • RefChem:5557
    • Derivative, Anthraquinone
    • CHEBI:22580
    • DTXSID501025892
    • 201-549-0
    • Anthraquinone Derivative
    • Anthra-9,10-quinone
    • Anthrachinon
    • 9,10-quinone
    • Az-Q
    • NSC 7957
    • 9,10-dihydroanthracene-9,10-dione
    • MFCD00001188
    • 9,10-Anthracendion
    • CHEMBL55659
    • NCGC00094960-03
    • Anthraquinone 100 microg/mL in Acetonitrile
    • Caswell No. 052A
    • 1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone
    • Anthraquinone [BSI:ISO]
    • CAS-84-65-1
    • 71730-08-0
    • 9,10-Anthrachinon [Czech]
    • CCRIS 649
    • HSDB 2074
    • EINECS 201-549-0
    • Anthracene-9,10-quinone
    • UNII-030MS0JBDO
    • AI3-09073
    • 9,10-Anthraguinone
    • Anthraquinone, 97%
    • Anthraquinone (NIST)
    • Spectrum_001527
    • SpecPlus_000645
    • Anthraquinone (Standard)
    • Spectrum2_000405
    • Spectrum3_001501
    • Spectrum4_000907
    • Spectrum5_001897
    • an anthraquinone derivative
    • ANTHRAQUINONE [MI]
    • Anthra-9,10-quinone #
    • Epitope ID:116191
    • ANTHRAQUINONE [ISO]
    • EC 201-549-0
    • ANTHRAQUINONE [HSDB]
    • ANTHRAQUINONE [IARC]
    • SCHEMBL14943
    • SCHEMBL56824
    • BSPBio_003141
    • KBioGR_001374
    • KBioSS_002007
    • DivK1c_006741
    • SCHEMBL136078
    • SCHEMBL167625
    • SPECTRUM1502103
    • SPBio_000330
    • orb1297636
    • SCHEMBL3673942
    • SCHEMBL4861795
    • SCHEMBL6003309
    • SCHEMBL7148476
    • SCHEMBL7866126
    • SCHEMBL9366483
    • SCHEMBL14874534
    • SCHEMBL15602674
    • SCHEMBL29358690
    • HY-N0354R
    • KBio1_001685
    • KBio2_002007
    • KBio2_004575
    • KBio2_007143
    • KBio3_002641
    • MSK4320
    • Anthraquinone, analytical standard
    • HMS1921J14
    • HY-N0354
    • Tox21_111369
    • BDBM50094892
    • CCG-39966
    • EBC-00576
    • s5168
    • SBB060613
    • STK398385
    • Anthracene,10-dihydro-9,10-dioxo-
    • AKOS000282964
    • Tox21_111369_1
    • DS-4810
    • NCGC00094960-01
    • NCGC00094960-02
    • NCGC00094960-04
    • NCGC00094960-06
    • NCGC00094960-07
    • AC-12719
    • DB-005409
    • A0502
    • CS-0008907
    • 84-65-1

  • Applications

    Anthraquinone (CAS 84-65-1) is primarily used as a building block in the production of anthraquinone dyes and pigments for textiles, coatings, and printing inks. It is a key intermediate in the industrial hydrogen peroxide production process known as the anthraquinone process. In addition, it serves as a starting material for synthesizing dye intermediates and pigment precursors used in plastics and coatings. It is also employed in research and development of specialty polymers and organic electronic materials containing anthraquinone motifs. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.01
    methanol 1.4
    isopropanol 1.87
    water 0.07
    ethyl acetate 22.57
    n-propanol 2.24
    acetone 25.78
    n-butanol 2.39
    acetonitrile 13.23
    DMF 110.97
    toluene 18.97
    isobutanol 2.16
    1,4-dioxane 35.08
    methyl acetate 31.54
    THF 47.82
    2-butanone 26.46
    n-pentanol 2.97
    sec-butanol 2.16
    n-hexane 1.33
    ethylene glycol 1.14
    NMP 125.86
    cyclohexane 2.84
    DMSO 20.89
    n-butyl acetate 28.09
    n-octanol 8.2
    chloroform 61.75
    n-propyl acetate 18.98
    acetic acid 7.8
    dichloromethane 69.4
    cyclohexanone 68.5
    propylene glycol 0.85
    isopropyl acetate 18.23
    DMAc 108.36
    2-ethoxyethanol 7.11
    isopentanol 3.0
    n-heptane 2.61
    ethyl formate 20.58
    1,2-dichloroethane 62.04
    n-hexanol 6.59
    2-methoxyethanol 9.73
    isobutyl acetate 13.65
    tetrachloromethane 16.9
    n-pentyl acetate 29.76
    transcutol 17.24
    n-heptanol 7.25
    ethylbenzene 18.14
    MIBK 16.06
    2-propoxyethanol 14.31
    tert-butanol 3.42
    MTBE 6.08
    2-butoxyethanol 13.48
    propionic acid 8.06
    o-xylene 19.37
    formic acid 2.65
    diethyl ether 8.72
    m-xylene 16.7
    p-xylene 25.62
    chlorobenzene 39.92
    dimethyl carbonate 29.15
    n-octane 3.22
    formamide 11.02
    cyclopentanone 85.29
    2-pentanone 21.68
    anisole 24.77
    cyclopentyl methyl ether 23.61
    gamma-butyrolactone 94.09
    1-methoxy-2-propanol 7.63
    pyridine 70.44
    3-pentanone 26.61
    furfural 91.05
    n-dodecane 2.37
    diethylene glycol 9.83
    diisopropyl ether 4.95
    tert-amyl alcohol 3.42
    acetylacetone 39.62
    n-hexadecane 3.0
    acetophenone 41.77
    methyl propionate 27.81
    isopentyl acetate 24.88
    trichloroethylene 145.58
    n-nonanol 8.38
    cyclohexanol 6.51
    benzyl alcohol 14.88
    2-ethylhexanol 7.92
    isooctanol 6.53
    dipropyl ether 10.84
    1,2-dichlorobenzene 54.85
    ethyl lactate 10.41
    propylene carbonate 51.32
    n-methylformamide 24.56
    2-pentanol 2.3
    n-pentane 0.77
    1-propoxy-2-propanol 10.5
    1-methoxy-2-propyl acetate 28.13
    2-(2-methoxypropoxy) propanol 14.71
    mesitylene 13.39
    ε-caprolactone 57.0
    p-cymene 15.15
    epichlorohydrin 76.43
    1,1,1-trichloroethane 48.92
    2-aminoethanol 1.76
    morpholine-4-carbaldehyde 81.37
    sulfolane 82.41
    2,2,4-trimethylpentane 0.91
    2-methyltetrahydrofuran 27.86
    n-hexyl acetate 32.38
    isooctane 0.79
    2-(2-butoxyethoxy)ethanol 14.57
    sec-butyl acetate 14.25
    tert-butyl acetate 18.88
    decalin 3.74
    glycerin 2.42
    diglyme 44.34
    acrylic acid 10.59
    isopropyl myristate 13.36
    n-butyric acid 10.46
    acetyl acetate 23.93
    di(2-ethylhexyl) phthalate 12.62
    ethyl propionate 19.15
    nitromethane 35.19
    1,2-diethoxyethane 18.72
    benzonitrile 41.18
    trioctyl phosphate 9.74
    1-bromopropane 15.01
    gamma-valerolactone 87.61
    n-decanol 6.29
    triethyl phosphate 17.68
    4-methyl-2-pentanol 2.43
    propionitrile 12.46
    vinylene carbonate 56.49
    1,1,2-trichlorotrifluoroethane 40.24
    DMS 45.04
    cumene 13.55
    2-octanol 6.9
    2-hexanone 19.26
    octyl acetate 15.61
    limonene 15.31
    1,2-dimethoxyethane 30.37
    ethyl orthosilicate 14.76
    tributyl phosphate 12.5
    diacetone alcohol 15.43
    N,N-dimethylaniline 23.53
    acrylonitrile 24.91
    aniline 14.74
    1,3-propanediol 3.16
    bromobenzene 43.82
    dibromomethane 37.46
    1,1,2,2-tetrachloroethane 82.41
    2-methyl-cyclohexyl acetate 21.61
    tetrabutyl urea 20.5
    diisobutyl methanol 6.44
    2-phenylethanol 21.34
    styrene 18.56
    dioctyl adipate 18.63
    dimethyl sulfate 48.6
    ethyl butyrate 20.25
    methyl lactate 12.4
    butyl lactate 16.26
    diethyl carbonate 18.68
    propanediol butyl ether 7.42
    triethyl orthoformate 16.93
    p-tert-butyltoluene 13.0
    methyl 4-tert-butylbenzoate 31.51
    morpholine 28.6
    tert-butylamine 2.32
    n-dodecanol 5.11
    dimethoxymethane 32.72
    ethylene carbonate 40.76
    cyrene 24.98
    2-ethoxyethyl acetate 33.86
    2-ethylhexyl acetate 24.45
    1,2,4-trichlorobenzene 58.08
    4-methylpyridine 58.46
    dibutyl ether 13.72
    2,6-dimethyl-4-heptanol 6.44
    DEF 51.88
    dimethyl isosorbide 42.68
    tetrachloroethylene 74.69
    eugenol 28.43
    triacetin 30.49
    span 80 11.84
    1,4-butanediol 1.95
    1,1-dichloroethane 30.39
    2-methyl-1-pentanol 3.81
    methyl formate 25.53
    2-methyl-1-butanol 2.71
    n-decane 4.12
    butyronitrile 11.24
    3,7-dimethyl-1-octanol 6.91
    1-chlorooctane 14.09
    1-chlorotetradecane 5.62
    n-nonane 3.9
    undecane 3.03
    tert-butylcyclohexane 2.72
    cyclooctane 2.0
    cyclopentanol 9.11
    tetrahydropyran 21.47
    tert-amyl methyl ether 7.1
    2,5,8-trioxanonane 29.08
    1-hexene 4.18
    2-isopropoxyethanol 6.68
    2,2,2-trifluoroethanol 10.38
    methyl butyrate 26.29

    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