1,8,9-Anthracenetriol

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  • Identifiers

    CAS number
    480-22-8

    Molecular formula
    C14H10O3

    SMILES
    C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O

  • Odor profile

    Fragrance
    Phenolic 79.49%
    Medicinal 45.87%
    Burnt 37.5%
    Smoky 35.97%
    Odorless 34.93%
    Spicy 31.96%
    Woody 27.38%
    Animal 27.35%
    Leathery 24.71%
    Musty 24.03%

     

    Flavor
    Bitter 87.52%
    Phenolic 23.46%
    Very strong 23.0%
    Indole 22.77%
    Flat 21.96%
    Rotten 21.09%
    Nitrile 20.56%
    Cedarleaf 20.55%
    Eugenol 20.53%
    Sweet-like 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.78 (weak base)

    Molecular weight
    226.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Melting point expt.

    • 349 to 358 °F (NTP, 1992)

    Flash point

    • 247.55 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 63 °F (NTP, 1992)

  • Synonyms

    • 1,8,9-Trihydroxyanthracene
    • 480-22-8
    • 1,8,9-ANTHRACENETRIOL
    • anthracene-1,8,9-triol
    • 1,8,9-Anthratriol
    • 1,8-Dihydroxyanthranol
    • 1,8-Dihydroxy-9-anthranol
    • DTXSID7026231
    • MLS000028411
    • CHEBI:2756
    • DTXCID306231
    • SMR000058389
    • 1,9-Anthratriol
    • Dihydroxy-Anthranol
    • 1,8,9Anthratriol
    • MFCD00001250
    • 1,9-Anthracenetriol
    • 1,9-Trihydroxyanthracene
    • 1,8,9Trihydroxyanthracene
    • 1,8,9-rihydroxyanthracene
    • SCHEMBL3198
    • cid_10187
    • CHEMBL1579066
    • BDBM50065
    • WLN: L C666J BQ DQ NQ
    • Tox21_202894
    • NSC403736
    • AKOS015856460
    • NSC-403736
    • NCGC00247024-01
    • NCGC00247024-02
    • NCGC00260440-01
    • AC-12086
    • CAS-480-22-8
    • DB-051499
    • NS00127056
    • T1166
    • A10823
    • SR-01000743798
    • SR-01000743798-3
    • BRD-K51807679-001-06-8
    • Q27105807

  • Applications

    1,8,9-Anthracenetriol (CAS 480-22-8) is an aromatic triol used as a synthetic intermediate and a polyol precursor for polymers and plastics; in industry, it is often used as a crosslinking agent for epoxy and polyurethane systems to improve hardness, chemical and thermal resistance in coatings and adhesives; it also serves as a precursor for aromatic polyols and anthracene-based colorants and pigments; additionally, it is being evaluated for electronic-material applications such as photoresists or UV-curable systems and for advanced coatings and ink/adhesive formulations. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.12
    methanol 11.0
    isopropanol 9.31
    water 0.02
    ethyl acetate 14.76
    n-propanol 9.58
    acetone 21.95
    n-butanol 8.87
    acetonitrile 4.59
    DMF 99.57
    toluene 2.71
    isobutanol 6.17
    1,4-dioxane 54.55
    methyl acetate 12.45
    THF 183.95
    2-butanone 16.05
    n-pentanol 8.34
    sec-butanol 5.73
    n-hexane 0.16
    ethylene glycol 7.94
    NMP 70.78
    cyclohexane 0.14
    DMSO 203.97
    n-butyl acetate 16.44
    n-octanol 11.21
    chloroform 0.38
    n-propyl acetate 13.98
    acetic acid 13.64
    dichloromethane 0.74
    cyclohexanone 31.01
    propylene glycol 8.45
    isopropyl acetate 14.53
    DMAc 50.08
    2-ethoxyethanol 27.19
    isopentanol 9.08
    n-heptane 0.67
    ethyl formate 10.06
    1,2-dichloroethane 2.87
    n-hexanol 13.65
    2-methoxyethanol 69.82
    isobutyl acetate 8.12
    tetrachloromethane 0.24
    n-pentyl acetate 16.37
    transcutol 98.41
    n-heptanol 12.24
    ethylbenzene 2.17
    MIBK 16.03
    2-propoxyethanol 51.07
    tert-butanol 16.54
    MTBE 8.24
    2-butoxyethanol 31.22
    propionic acid 10.45
    o-xylene 2.34
    formic acid 7.57
    diethyl ether 10.32
    m-xylene 3.23
    p-xylene 2.19
    chlorobenzene 1.97
    dimethyl carbonate 18.95
    n-octane 0.38
    formamide 25.76
    cyclopentanone 67.26
    2-pentanone 19.98
    anisole 9.82
    cyclopentyl methyl ether 31.15
    gamma-butyrolactone 78.15
    1-methoxy-2-propanol 57.23
    pyridine 17.91
    3-pentanone 9.73
    furfural 43.16
    n-dodecane 0.69
    diethylene glycol 49.49
    diisopropyl ether 4.25
    tert-amyl alcohol 8.96
    acetylacetone 37.29
    n-hexadecane 0.82
    acetophenone 12.19
    methyl propionate 18.49
    isopentyl acetate 15.79
    trichloroethylene 4.49
    n-nonanol 11.93
    cyclohexanol 8.73
    benzyl alcohol 10.16
    2-ethylhexanol 9.52
    isooctanol 11.03
    dipropyl ether 15.85
    1,2-dichlorobenzene 2.42
    ethyl lactate 14.52
    propylene carbonate 28.42
    n-methylformamide 29.16
    2-pentanol 6.73
    n-pentane 0.15
    1-propoxy-2-propanol 39.44
    1-methoxy-2-propyl acetate 37.55
    2-(2-methoxypropoxy) propanol 30.74
    mesitylene 2.32
    ε-caprolactone 32.05
    p-cymene 4.07
    epichlorohydrin 66.7
    1,1,1-trichloroethane 1.14
    2-aminoethanol 13.1
    morpholine-4-carbaldehyde 77.77
    sulfolane 120.77
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 38.67
    n-hexyl acetate 21.22
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 47.23
    sec-butyl acetate 9.25
    tert-butyl acetate 21.07
    decalin 0.45
    glycerin 27.81
    diglyme 81.54
    acrylic acid 12.51
    isopropyl myristate 10.54
    n-butyric acid 15.36
    acetyl acetate 11.4
    di(2-ethylhexyl) phthalate 9.85
    ethyl propionate 12.83
    nitromethane 38.28
    1,2-diethoxyethane 29.86
    benzonitrile 7.73
    trioctyl phosphate 9.65
    1-bromopropane 1.12
    gamma-valerolactone 93.97
    n-decanol 9.27
    triethyl phosphate 10.52
    4-methyl-2-pentanol 6.97
    propionitrile 5.56
    vinylene carbonate 19.38
    1,1,2-trichlorotrifluoroethane 38.91
    DMS 19.04
    cumene 2.28
    2-octanol 8.85
    2-hexanone 15.11
    octyl acetate 13.62
    limonene 5.71
    1,2-dimethoxyethane 58.99
    ethyl orthosilicate 9.78
    tributyl phosphate 9.23
    diacetone alcohol 37.98
    N,N-dimethylaniline 8.52
    acrylonitrile 9.92
    aniline 7.42
    1,3-propanediol 22.65
    bromobenzene 1.37
    dibromomethane 0.43
    1,1,2,2-tetrachloroethane 4.66
    2-methyl-cyclohexyl acetate 13.39
    tetrabutyl urea 14.55
    diisobutyl methanol 8.59
    2-phenylethanol 14.85
    styrene 1.86
    dioctyl adipate 15.44
    dimethyl sulfate 34.71
    ethyl butyrate 14.74
    methyl lactate 24.86
    butyl lactate 18.43
    diethyl carbonate 10.02
    propanediol butyl ether 28.83
    triethyl orthoformate 14.48
    p-tert-butyltoluene 4.47
    methyl 4-tert-butylbenzoate 22.72
    morpholine 65.35
    tert-butylamine 6.53
    n-dodecanol 7.01
    dimethoxymethane 76.91
    ethylene carbonate 17.14
    cyrene 34.2
    2-ethoxyethyl acetate 26.81
    2-ethylhexyl acetate 11.64
    1,2,4-trichlorobenzene 3.9
    4-methylpyridine 13.15
    dibutyl ether 12.43
    2,6-dimethyl-4-heptanol 8.59
    DEF 25.44
    dimethyl isosorbide 57.74
    tetrachloroethylene 3.07
    eugenol 25.46
    triacetin 22.88
    span 80 25.77
    1,4-butanediol 6.6
    1,1-dichloroethane 0.85
    2-methyl-1-pentanol 7.65
    methyl formate 22.61
    2-methyl-1-butanol 6.67
    n-decane 1.09
    butyronitrile 6.33
    3,7-dimethyl-1-octanol 9.86
    1-chlorooctane 4.66
    1-chlorotetradecane 2.28
    n-nonane 0.75
    undecane 0.88
    tert-butylcyclohexane 0.56
    cyclooctane 0.15
    cyclopentanol 15.06
    tetrahydropyran 24.38
    tert-amyl methyl ether 8.1
    2,5,8-trioxanonane 57.7
    1-hexene 1.04
    2-isopropoxyethanol 20.4
    2,2,2-trifluoroethanol 6.17
    methyl butyrate 15.28

    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