2-(Hydroxymethyl)anthraquinone

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  • Identifiers

    CAS number
    17241-59-7

    Molecular formula
    C15H10O3

    SMILES
    C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.23%
    Powdery 38.07%
    Phenolic 38.02%
    Vanilla 37.88%
    Balsamic 36.82%
    Bitter 33.53%
    Floral 33.28%
    Coumarinic 31.97%
    Almond 30.8%
    Hay 30.34%

     

    Flavor
    Bitter 91.0%
    Lovage 20.29%
    Nitrile 20.09%
    Odorless 19.64%
    Very strong 19.58%
    Indole 19.27%
    Fenugreek 19.06%
    Sweet-like 18.95%
    Moth ball 18.78%
    Urine 18.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.58 (neutral)

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    537°C

    Flash point

    • 233.61 ˚C est.

  • Synonyms

    • 2-(Hydroxymethyl)anthraquinone
    • 17241-59-7
    • 2-(hydroxymethyl)anthracene-9,10-dione
    • 2-Hydroxymethylanthraquinone
    • Anthraquinone-2-methanol
    • CHEBI:28649
    • DTXSID10169278
    • HMAQ-one
    • RefChem:909434
    • DTXCID1091769
    • 241-274-3
    • 2-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione
    • 9,10-Anthracenedione, 2-(hydroxymethyl)-
    • MFCD00001236
    • 2-Hydroxymethyl-9,10-anthracenedione
    • 2-(hydroxymethyl)-9,10-anthraquinone
    • CCRIS 3522
    • EINECS 241-274-3
    • BRN 2120452
    • Anthraquinone, 2-(hydroxymethyl)-
    • SCHEMBL41511
    • 4-08-00-02607 (Beilstein Handbook Reference)
    • CHEMBL21049
    • 2-(Hydroxymethyl)anthraouinone
    • orb1297512
    • SCHEMBL7912053
    • SCHEMBL9209968
    • SCHEMBL30021053
    • HY-N7502
    • 2-hydroxymethyl-9,10-anthraquinone
    • 2-(Hydroxymethyl)anthraquinone, 97%
    • AKOS015856505
    • EBC-616511
    • 2-(Hydroxymethyl)anthra-9,10-quinone #
    • AS-63881
    • PD167284
    • DB-043896
    • CS-0131104
    • NS00025652
    • ST50308365
    • G12036
    • Q27103810
    • 17241-59-7

  • Applications

    2-(Hydroxymethyl)anthraquinone is primarily used as an organic intermediate in the synthesis of anthraquinone-based dyes and pigments, serving as a functionalized building block for dye chemistry. It may also be employed as a scaffold or precursor in polymer and plastic formulations where the hydroxymethyl group enables further functionalization or crosslinking. In coatings and inks, it can act as a dye precursor or chromophore to impart color and lightfastness. The compound has potential use in electronics and related materials as a chromophore or redox-active component in organic electronic applications. It can also be evaluated as an intermediate in pharmaceutical synthesis, providing a core framework for generating more complex bioactive compounds. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.53
    methanol 0.48
    isopropanol 0.38
    water 0.02
    ethyl acetate 2.68
    n-propanol 0.46
    acetone 3.29
    n-butanol 0.49
    acetonitrile 1.45
    DMF 31.78
    toluene 3.96
    isobutanol 0.37
    1,4-dioxane 5.66
    methyl acetate 3.56
    THF 9.39
    2-butanone 3.71
    n-pentanol 0.71
    sec-butanol 0.34
    n-hexane 0.03
    ethylene glycol 0.93
    NMP 20.8
    cyclohexane 0.06
    DMSO 8.44
    n-butyl acetate 6.37
    n-octanol 2.15
    chloroform 3.69
    n-propyl acetate 4.85
    acetic acid 3.95
    dichloromethane 4.03
    cyclohexanone 10.17
    propylene glycol 0.54
    isopropyl acetate 4.6
    DMAc 40.23
    2-ethoxyethanol 3.87
    isopentanol 1.07
    n-heptane 0.09
    ethyl formate 2.58
    1,2-dichloroethane 5.15
    n-hexanol 1.9
    2-methoxyethanol 6.0
    isobutyl acetate 4.33
    tetrachloromethane 0.54
    n-pentyl acetate 7.78
    transcutol 27.25
    n-heptanol 3.25
    ethylbenzene 3.71
    MIBK 5.58
    2-propoxyethanol 8.49
    tert-butanol 1.46
    MTBE 1.18
    2-butoxyethanol 9.29
    propionic acid 2.12
    o-xylene 4.18
    formic acid 2.47
    diethyl ether 0.8
    m-xylene 3.79
    p-xylene 4.1
    chlorobenzene 3.74
    dimethyl carbonate 9.35
    n-octane 0.12
    formamide 7.08
    cyclopentanone 12.63
    2-pentanone 3.36
    anisole 8.03
    cyclopentyl methyl ether 3.56
    gamma-butyrolactone 13.76
    1-methoxy-2-propanol 4.88
    pyridine 12.46
    3-pentanone 3.33
    furfural 21.9
    n-dodecane 0.21
    diethylene glycol 10.0
    diisopropyl ether 0.85
    tert-amyl alcohol 1.14
    acetylacetone 11.57
    n-hexadecane 0.26
    acetophenone 13.87
    methyl propionate 4.03
    isopentyl acetate 8.13
    trichloroethylene 16.72
    n-nonanol 2.77
    cyclohexanol 1.01
    benzyl alcohol 6.64
    2-ethylhexanol 2.73
    isooctanol 3.37
    dipropyl ether 2.46
    1,2-dichlorobenzene 6.38
    ethyl lactate 5.49
    propylene carbonate 8.95
    n-methylformamide 5.7
    2-pentanol 0.42
    n-pentane 0.02
    1-propoxy-2-propanol 6.47
    1-methoxy-2-propyl acetate 13.62
    2-(2-methoxypropoxy) propanol 13.34
    mesitylene 2.89
    ε-caprolactone 9.2
    p-cymene 4.08
    epichlorohydrin 13.8
    1,1,1-trichloroethane 2.98
    2-aminoethanol 1.04
    morpholine-4-carbaldehyde 25.27
    sulfolane 20.0
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 3.1
    n-hexyl acetate 7.96
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 14.0
    sec-butyl acetate 4.54
    tert-butyl acetate 8.48
    decalin 0.27
    glycerin 3.03
    diglyme 33.53
    acrylic acid 4.13
    isopropyl myristate 4.91
    n-butyric acid 2.75
    acetyl acetate 5.93
    di(2-ethylhexyl) phthalate 6.47
    ethyl propionate 4.91
    nitromethane 10.8
    1,2-diethoxyethane 8.44
    benzonitrile 9.12
    trioctyl phosphate 4.49
    1-bromopropane 0.85
    gamma-valerolactone 20.98
    n-decanol 2.29
    triethyl phosphate 7.35
    4-methyl-2-pentanol 1.17
    propionitrile 1.93
    vinylene carbonate 11.11
    1,1,2-trichlorotrifluoroethane 16.43
    DMS 13.73
    cumene 3.22
    2-octanol 2.06
    2-hexanone 5.0
    octyl acetate 5.21
    limonene 3.58
    1,2-dimethoxyethane 13.07
    ethyl orthosilicate 6.73
    tributyl phosphate 4.91
    diacetone alcohol 11.42
    N,N-dimethylaniline 8.11
    acrylonitrile 5.43
    aniline 4.74
    1,3-propanediol 1.74
    bromobenzene 3.54
    dibromomethane 1.68
    1,1,2,2-tetrachloroethane 10.33
    2-methyl-cyclohexyl acetate 8.54
    tetrabutyl urea 8.6
    diisobutyl methanol 3.08
    2-phenylethanol 9.73
    styrene 3.77
    dioctyl adipate 7.78
    dimethyl sulfate 17.24
    ethyl butyrate 6.09
    methyl lactate 6.57
    butyl lactate 7.48
    diethyl carbonate 6.05
    propanediol butyl ether 6.13
    triethyl orthoformate 6.84
    p-tert-butyltoluene 3.83
    methyl 4-tert-butylbenzoate 16.18
    morpholine 5.09
    tert-butylamine 0.78
    n-dodecanol 1.9
    dimethoxymethane 11.2
    ethylene carbonate 7.36
    cyrene 15.04
    2-ethoxyethyl acetate 12.71
    2-ethylhexyl acetate 6.68
    1,2,4-trichlorobenzene 8.47
    4-methylpyridine 9.32
    dibutyl ether 3.31
    2,6-dimethyl-4-heptanol 3.08
    DEF 8.72
    dimethyl isosorbide 25.64
    tetrachloroethylene 8.26
    eugenol 17.18
    triacetin 12.55
    span 80 8.4
    1,4-butanediol 0.9
    1,1-dichloroethane 1.65
    2-methyl-1-pentanol 1.46
    methyl formate 4.97
    2-methyl-1-butanol 0.67
    n-decane 0.3
    butyronitrile 1.47
    3,7-dimethyl-1-octanol 2.92
    1-chlorooctane 1.67
    1-chlorotetradecane 0.95
    n-nonane 0.19
    undecane 0.25
    tert-butylcyclohexane 0.28
    cyclooctane 0.05
    cyclopentanol 1.01
    tetrahydropyran 2.18
    tert-amyl methyl ether 1.54
    2,5,8-trioxanonane 24.95
    1-hexene 0.25
    2-isopropoxyethanol 3.93
    2,2,2-trifluoroethanol 3.95
    methyl butyrate 5.87

    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