Quinizarin

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  • Identifiers

    CAS number
    81-64-1

    Molecular formula
    C14H8O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.63%
    Odorless 49.86%
    Burnt 32.26%
    Sweet 31.98%
    Bitter 30.13%
    Spicy 29.01%
    Balsamic 28.66%
    Medicinal 25.82%
    Vanilla 23.28%
    Dry 19.99%

     

    Flavor
    Bitter 95.3%
    Odorless 20.79%
    Nitrile 19.24%
    Lovage 19.18%
    Very strong 18.86%
    Cedarleaf 18.75%
    Indole 18.39%
    Sweet-like 18.22%
    Rotten 17.85%
    Parsley 17.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.22 (weak base)

    Molecular weight
    240.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    552°C

    Melting point expt.

    • 196 °C

    Flash point

    • 239.84 ˚C est.
    • 222 °C

    Solubility expt.

    • MODERATELY SOL IN ALCOHOL WITH RED COLOR
    • SOL IN ETHER WITH BROWN COLOR & YELLOW FLUORESCENCE
    • SOL WITH VIOLET COLOR IN AQ ALKALIES & IN AMMONIA
    • 1 G SOL IN ABOUT 13 G OF BOILING GLACIAL ACETIC ACID
    • For more Solubility (Complete) data for 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE (6 total), please visit the HSDB record page.

  • Synonyms

    • Quinizarin
    • 1,4-Dihydroxyanthraquinone
    • 81-64-1
    • 1,4-dihydroxyanthracene-9,10-dione
    • Quinizarine
    • Chinizarin
    • Solvent Orange 86
    • Smoke Orange R
    • 1,4-Dihydroxyanthrachinon
    • Macrolex Orange GG
    • 1,4-Dihydroxy-9,10-anthraquinone
    • 9,10-Anthracenedione, 1,4-dihydroxy-
    • Anthraquinone, 1,4-dihydroxy-
    • 1,4-Dioxyanthraquinone
    • 1,4-Doa
    • 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE
    • C.I. 58050
    • 8S496ZV3CS
    • CI 58050
    • DTXSID8044464
    • NSC-15367
    • NSC-646569
    • DTXCID6024464
    • CHEBI:37487
    • RefChem:45861
    • 201-368-7
    • 103220-12-8
    • 1,4-Dihydroxyanthra-9,10-quinone
    • NSC 15367
    • NSC 646569
    • MFCD00001209
    • CHEMBL17594
    • 1,4-dihydroxy-9,10-dihydroanthracene-9,10-dione
    • NSC646569
    • 9, 1,4-dihydroxy-
    • 1,4-Doa [Russian]
    • WLN: L C666 BV IVJ DQ GQ
    • CCRIS 3524
    • HSDB 5242
    • 1,4-Dioxyanthraquinone [Russian]
    • 1,4-Dihydroxyanthrachinon [Czech]
    • EINECS 201-368-7
    • C.I.Solvent Orange 86
    • UNII-8S496ZV3CS
    • AI3-17616
    • 1,4-Dihydroxy-9,10-anthraquinone; 1,4-Dihydroxyanthraquinone; Smoke Orange R; Quinizarine
    • 4,9-dihydroxy-1,10-anthraquinone
    • 9,10-Dihydroxy-1,4-anthraquinone
    • Quinizarin, 96%
    • Solvent Orange 86
    • QUINIZARIN [MI]
    • EC 201-368-7
    • SCHEMBL160038
    • MEGxp0_001867
    • orb1297222
    • SCHEMBL2639287
    • SCHEMBL29385801
    • ACon1_000101
    • BB_NC-00468
    • HY-D0226
    • NSC15367
    • NSC40899
    • Tox21_302041
    • BBL010354
    • BDBM50240382
    • CCG-48149
    • NSC-40899
    • NSC229036
    • SBB069501
    • STK264108
    • DIHYDROXYANTHRAQUINONE, 1,4-
    • 1,4-dihydroxy-anthracene-9,10-dione
    • AKOS001595052
    • 1,4-Dihydroxy-9,10-anthracene-dione
    • 1,4-Dihydroxyanthra-9,10-quinone #
    • 9,10-Anthraquinone, 1,4-dihydroxy-
    • EBC-459075
    • FD39689
    • NSC-229036
    • CAS-81-64-1
    • NCGC00160196-01
    • NCGC00160196-02
    • NCGC00255951-01
    • AC-11267
    • AS-14244
    • DA-57310
    • NCI60_001089
    • CS-0010138
    • D0243
    • NS00003772
    • ST50330576
    • F87345
    • EN300-6486266
    • AE-641/02529036
    • F130900
    • Q906609
    • SR-01000108129
    • 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE [HSDB]
    • doi:10.14272/GUEIZVNYDFNHJU-UHFFFAOYSA-N.1
    • SR-01000108129-1
    • SR-01000637713-1
    • F1565-0160
    • 1,4-Dihydroxyanthraquinone, purum, >=98.0% (HPLC), powder, red-brown
    • InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16
    • 81-64-1

  • Applications

    Quinizarin, CAS number: 81-64-1, is primarily used as an intermediate in the production of anthraquinone dyes for textiles and printing; it also serves as a pigment precursor for coatings, inks, and plastics, enabling colorant formulations across polymer and coating systems; it can be used as a dye reagent in analytical chemistry and as a platform for research and development of colorant systems based on the anthraquinone family.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.26
    methanol 0.17
    isopropanol 0.28
    water 0.01
    ethyl acetate 1.08
    n-propanol 0.28
    acetone 1.93
    n-butanol 0.28
    acetonitrile 1.03
    DMF 20.78
    toluene 1.25
    isobutanol 0.25
    1,4-dioxane 3.76
    methyl acetate 2.09
    THF 12.7
    2-butanone 2.29
    n-pentanol 0.41
    sec-butanol 0.26
    n-hexane 0.02
    ethylene glycol 0.48
    NMP 25.71
    cyclohexane 0.04
    DMSO 16.06
    n-butyl acetate 3.86
    n-octanol 2.21
    chloroform 0.45
    n-propyl acetate 1.65
    acetic acid 0.78
    dichloromethane 0.74
    cyclohexanone 6.45
    propylene glycol 0.25
    isopropyl acetate 1.43
    DMAc 36.87
    2-ethoxyethanol 1.65
    isopentanol 0.49
    n-heptane 0.08
    ethyl formate 1.15
    1,2-dichloroethane 1.34
    n-hexanol 1.3
    2-methoxyethanol 3.06
    isobutyl acetate 1.2
    tetrachloromethane 0.22
    n-pentyl acetate 3.95
    transcutol 4.05
    n-heptanol 2.33
    ethylbenzene 1.39
    MIBK 1.95
    2-propoxyethanol 5.27
    tert-butanol 0.97
    MTBE 0.77
    2-butoxyethanol 4.65
    propionic acid 0.76
    o-xylene 1.71
    formic acid 0.65
    diethyl ether 0.34
    m-xylene 1.31
    p-xylene 1.96
    chlorobenzene 1.05
    dimethyl carbonate 3.91
    n-octane 0.1
    formamide 2.65
    cyclopentanone 11.63
    2-pentanone 1.6
    anisole 2.77
    cyclopentyl methyl ether 2.24
    gamma-butyrolactone 10.3
    1-methoxy-2-propanol 2.33
    pyridine 6.09
    3-pentanone 1.67
    furfural 9.63
    n-dodecane 0.18
    diethylene glycol 5.04
    diisopropyl ether 0.31
    tert-amyl alcohol 0.8
    acetylacetone 4.09
    n-hexadecane 0.24
    acetophenone 5.61
    methyl propionate 1.99
    isopentyl acetate 4.43
    trichloroethylene 3.33
    n-nonanol 2.54
    cyclohexanol 0.7
    benzyl alcohol 2.22
    2-ethylhexanol 1.63
    isooctanol 2.09
    dipropyl ether 1.25
    1,2-dichlorobenzene 1.98
    ethyl lactate 1.97
    propylene carbonate 4.47
    n-methylformamide 3.29
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 3.77
    1-methoxy-2-propyl acetate 6.55
    2-(2-methoxypropoxy) propanol 5.38
    mesitylene 1.12
    ε-caprolactone 5.78
    p-cymene 2.26
    epichlorohydrin 7.69
    1,1,1-trichloroethane 0.98
    2-aminoethanol 0.61
    morpholine-4-carbaldehyde 15.81
    sulfolane 19.54
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 3.25
    n-hexyl acetate 4.51
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 4.81
    sec-butyl acetate 1.49
    tert-butyl acetate 3.06
    decalin 0.16
    glycerin 1.24
    diglyme 10.7
    acrylic acid 1.19
    isopropyl myristate 2.72
    n-butyric acid 0.9
    acetyl acetate 1.54
    di(2-ethylhexyl) phthalate 3.23
    ethyl propionate 1.94
    nitromethane 3.82
    1,2-diethoxyethane 2.46
    benzonitrile 3.76
    trioctyl phosphate 2.87
    1-bromopropane 0.35
    gamma-valerolactone 12.68
    n-decanol 2.01
    triethyl phosphate 4.07
    4-methyl-2-pentanol 0.44
    propionitrile 1.25
    vinylene carbonate 4.28
    1,1,2-trichlorotrifluoroethane 7.1
    DMS 6.23
    cumene 1.35
    2-octanol 1.65
    2-hexanone 2.22
    octyl acetate 3.35
    limonene 2.07
    1,2-dimethoxyethane 6.31
    ethyl orthosilicate 3.42
    tributyl phosphate 2.71
    diacetone alcohol 4.89
    N,N-dimethylaniline 3.93
    acrylonitrile 2.82
    aniline 1.58
    1,3-propanediol 0.97
    bromobenzene 1.13
    dibromomethane 0.37
    1,1,2,2-tetrachloroethane 2.77
    2-methyl-cyclohexyl acetate 4.33
    tetrabutyl urea 5.65
    diisobutyl methanol 1.46
    2-phenylethanol 4.75
    styrene 1.13
    dioctyl adipate 3.56
    dimethyl sulfate 10.86
    ethyl butyrate 2.95
    methyl lactate 2.95
    butyl lactate 3.07
    diethyl carbonate 2.96
    propanediol butyl ether 2.58
    triethyl orthoformate 3.32
    p-tert-butyltoluene 2.07
    methyl 4-tert-butylbenzoate 7.47
    morpholine 4.33
    tert-butylamine 0.46
    n-dodecanol 1.57
    dimethoxymethane 5.31
    ethylene carbonate 3.17
    cyrene 6.82
    2-ethoxyethyl acetate 4.63
    2-ethylhexyl acetate 3.95
    1,2,4-trichlorobenzene 2.95
    4-methylpyridine 4.7
    dibutyl ether 1.71
    2,6-dimethyl-4-heptanol 1.46
    DEF 5.5
    dimethyl isosorbide 12.12
    tetrachloroethylene 2.24
    eugenol 7.06
    triacetin 4.49
    span 80 3.63
    1,4-butanediol 0.45
    1,1-dichloroethane 0.38
    2-methyl-1-pentanol 0.69
    methyl formate 2.47
    2-methyl-1-butanol 0.38
    n-decane 0.27
    butyronitrile 0.92
    3,7-dimethyl-1-octanol 1.94
    1-chlorooctane 1.41
    1-chlorotetradecane 0.76
    n-nonane 0.18
    undecane 0.22
    tert-butylcyclohexane 0.14
    cyclooctane 0.03
    cyclopentanol 1.04
    tetrahydropyran 1.57
    tert-amyl methyl ether 1.08
    2,5,8-trioxanonane 9.57
    1-hexene 0.13
    2-isopropoxyethanol 1.53
    2,2,2-trifluoroethanol 1.09
    methyl butyrate 2.44

    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