Danthron

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  • Identifiers

    CAS number
    117-10-2

    Molecular formula
    C14H8O4

    SMILES
    C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 56.83%
    Odorless 47.97%
    Sweet 35.06%
    Burnt 31.62%
    Bitter 31.51%
    Spicy 29.32%
    Medicinal 28.0%
    Balsamic 27.34%
    Vanilla 23.21%
    Nutty 22.93%

     

    Flavor
    Bitter 95.98%
    Odorless 21.1%
    Lovage 19.18%
    Nitrile 19.14%
    Very strong 18.85%
    Cedarleaf 18.83%
    Indole 18.37%
    Sweet-like 18.27%
    Rotten 17.81%
    Parsley 17.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.37 (weak base)

    Molecular weight
    240.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 379 °F (NTP, 1992)
    • 193 °C

    Boiling point

    • Sublimes (NTP, 1992)
    • Sublimes

    Flash point

    • 248.32 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • Insoluble in water; slightly soluble in ethanol, diethyl ether; soluble in acetone, acetic acid, alkali
    • Almost insoluble in water (6.5X10-6 mols/L at 25 °C), in alcohol (1:2000). Moderately soluble in ether (1:500), in chloroform; soluble in 10 parts hot glacial acetic acid. Very slightly soluble in aqueous solutions of alkali hydroxides: about 0.8 g dissolves in 100 ml 0.5N NaOH.

  • Synonyms

    • danthron
    • 1,8-Dihydroxyanthraquinone
    • 117-10-2
    • Chrysazin
    • Dantron
    • Dorbane
    • Istizin
    • Antrapurol
    • Laxanthreen
    • Diaquone
    • Laxanorm
    • Altan
    • 1,8-Dihydroxyanthracene-9,10-dione
    • Laxipurin
    • Zwitsalax
    • Danivac
    • Dionone
    • Laxipur
    • 9,10-Anthracenedione, 1,8-dihydroxy-
    • danthrone
    • Dantrone
    • Duolax
    • 1,8-Dihydroxy-9,10-anthraquinone
    • Dioxyanthrachinonum
    • Usaf nd-59
    • 1,8-Dihydroxyanthrachinon
    • Prugol
    • Roydan
    • Chrysazine
    • Dantronum
    • Dorbanex
    • 1,8-Dihydroxyanthra-9,10-quinone
    • 1,8-Dihydroxy-9,10-anthracenedione
    • Criasazin
    • Dantrona
    • LTAN
    • Dantron [INN]
    • 1,8-Dihydroxyanthrachinon [Czech]
    • Pilules Vinchy N.F.
    • 1,8-dioxyanthraquinone
    • Laxapur
    • Anthraquinone, 1,8-dihydroxy-
    • 1,8-Dihydroanthraquinone
    • NSC7210
    • Z4XE6IBF3V
    • 1,8-dihydroxy-anthraquinone
    • MFCD00001211
    • NSC 38626
    • NSC-38626
    • Dantron (INN)
    • NSC 646568
    • NSC-646568
    • CHEBI:3682
    • 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione
    • DTXSID9020328
    • DANTHRON [HSDB]
    • DANTHRON [MI]
    • DANTRON [IARC]
    • DANTHRON [VANDF]
    • DANTRON [MART.]
    • NSC646568
    • DANTRON [WHO-DD]
    • Pilules Vinchy N.F. (TN)
    • CHEMBL53418
    • DTXCID10328
    • Pastomin
    • Bancon
    • Istan
    • component of Doxan
    • Neokutin S
    • component of Modane
    • NSC38626
    • Scatron D
    • component of Doxidan
    • component of Dorbantyl
    • NCGC00091367-01
    • NCGC00091367-05
    • DITHRANOL IMPURITY B [EP IMPURITY]
    • DANTRON (IARC)
    • 9, 1,8-dihydroxy-
    • DANTRON (MART.)
    • Anthraquinone,8-dihydroxy-
    • Dantrone [INN-French]
    • Dantronum [INN-Latin]
    • Dantrona [INN-Spanish]
    • dianthon
    • 1,4,5,8-Tetroxyantraquinone
    • 1,8-Dihydroxyanthrachinon (Czech)
    • danthro-lax
    • WLN: L C666 BV IVJ DQ NQ
    • Danthron [USP]
    • CAS-117-10-2
    • DITHRANOL IMPURITY B (EP IMPURITY)
    • CCRIS 3529
    • EINECS 204-173-5
    • UNII-Z4XE6IBF3V
    • Istizine
    • AI3-38117
    • HSDB 7764
    • 3nsq
    • Danthron, BAN
    • Dantron, INN
    • Danthron (Standard)
    • Dorbanex (Salt/Mix)
    • Dorbantyl (Salt/Mix)
    • Spectrum_001750
    • dihyanthraquin_P41_LT
    • Spectrum2_000603
    • Spectrum3_000650
    • Spectrum4_001682
    • Spectrum5_000324
    • dihyanthraquin_P21/n_LT
    • NCIMech_000114
    • 1,8-Dihydroxyanthracene-9,10-dione (Danthron)
    • dihyanthraquin_P41212_RT
    • SCHEMBL83688
    • BSPBio_002259
    • KBioGR_001944
    • KBioSS_002230
    • SPECTRUM211468
    • MLS000069608
    • DivK1c_000284
    • SPBio_000506
    • 1,8-DHAQ
    • MEGxp0_001693
    • ACon1_000135
    • BDBM11316
    • HMS500O06

  • Applications

    Danthron (117-10-2) is primarily used as a laxative in pharmaceutical formulations, where it acts as an anthraquinone-type stimulant laxative. In industrial manufacturing it serves as a dye/pigment intermediate for anthraquinone-based dyes and pigments. In coatings and inks, it is used as a colorant precursor for colorant formulations. In plastics and other polymers, it may be used as a pigment additive or precursor in pigment-containing formulations. Its use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.3
    methanol 0.17
    isopropanol 0.31
    water 0.01
    ethyl acetate 1.57
    n-propanol 0.34
    acetone 2.0
    n-butanol 0.36
    acetonitrile 0.91
    DMF 25.21
    toluene 1.63
    isobutanol 0.29
    1,4-dioxane 5.58
    methyl acetate 2.23
    THF 18.56
    2-butanone 2.47
    n-pentanol 0.55
    sec-butanol 0.31
    n-hexane 0.03
    ethylene glycol 0.63
    NMP 44.29
    cyclohexane 0.04
    DMSO 18.45
    n-butyl acetate 4.44
    n-octanol 2.42
    chloroform 0.3
    n-propyl acetate 2.37
    acetic acid 1.2
    dichloromethane 0.59
    cyclohexanone 9.35
    propylene glycol 0.39
    isopropyl acetate 2.31
    DMAc 38.36
    2-ethoxyethanol 2.71
    isopentanol 0.65
    n-heptane 0.1
    ethyl formate 1.4
    1,2-dichloroethane 1.2
    n-hexanol 1.53
    2-methoxyethanol 4.7
    isobutyl acetate 1.71
    tetrachloromethane 0.13
    n-pentyl acetate 4.83
    transcutol 6.74
    n-heptanol 2.58
    ethylbenzene 1.66
    MIBK 2.59
    2-propoxyethanol 7.58
    tert-butanol 1.1
    MTBE 0.83
    2-butoxyethanol 5.86
    propionic acid 1.19
    o-xylene 1.97
    formic acid 0.85
    diethyl ether 0.51
    m-xylene 1.73
    p-xylene 2.04
    chlorobenzene 1.21
    dimethyl carbonate 5.04
    n-octane 0.09
    formamide 3.58
    cyclopentanone 16.33
    2-pentanone 2.17
    anisole 3.99
    cyclopentyl methyl ether 4.05
    gamma-butyrolactone 16.64
    1-methoxy-2-propanol 3.77
    pyridine 8.38
    3-pentanone 1.94
    furfural 14.04
    n-dodecane 0.19
    diethylene glycol 7.01
    diisopropyl ether 0.44
    tert-amyl alcohol 0.92
    acetylacetone 6.25
    n-hexadecane 0.24
    acetophenone 7.15
    methyl propionate 2.93
    isopentyl acetate 4.78
    trichloroethylene 3.21
    n-nonanol 2.87
    cyclohexanol 1.0
    benzyl alcohol 3.37
    2-ethylhexanol 2.07
    isooctanol 2.44
    dipropyl ether 2.0
    1,2-dichlorobenzene 2.06
    ethyl lactate 2.97
    propylene carbonate 6.6
    n-methylformamide 4.23
    2-pentanol 0.33
    n-pentane 0.02
    1-propoxy-2-propanol 5.5
    1-methoxy-2-propyl acetate 9.0
    2-(2-methoxypropoxy) propanol 7.38
    mesitylene 1.25
    ε-caprolactone 8.63
    p-cymene 2.4
    epichlorohydrin 11.73
    1,1,1-trichloroethane 0.7
    2-aminoethanol 0.8
    morpholine-4-carbaldehyde 24.57
    sulfolane 28.68
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 4.95
    n-hexyl acetate 5.6
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 7.07
    sec-butyl acetate 2.18
    tert-butyl acetate 4.06
    decalin 0.18
    glycerin 2.06
    diglyme 14.54
    acrylic acid 2.03
    isopropyl myristate 3.19
    n-butyric acid 1.38
    acetyl acetate 2.13
    di(2-ethylhexyl) phthalate 3.95
    ethyl propionate 2.84
    nitromethane 4.97
    1,2-diethoxyethane 3.63
    benzonitrile 4.43
    trioctyl phosphate 3.29
    1-bromopropane 0.33
    gamma-valerolactone 20.17
    n-decanol 2.31
    triethyl phosphate 4.45
    4-methyl-2-pentanol 0.65
    propionitrile 1.17
    vinylene carbonate 5.88
    1,1,2-trichlorotrifluoroethane 9.2
    DMS 7.61
    cumene 1.48
    2-octanol 1.89
    2-hexanone 3.02
    octyl acetate 4.1
    limonene 2.52
    1,2-dimethoxyethane 8.4
    ethyl orthosilicate 4.05
    tributyl phosphate 3.1
    diacetone alcohol 6.75
    N,N-dimethylaniline 4.65
    acrylonitrile 2.87
    aniline 2.5
    1,3-propanediol 1.23
    bromobenzene 1.14
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 2.53
    2-methyl-cyclohexyl acetate 5.48
    tetrabutyl urea 5.97
    diisobutyl methanol 1.82
    2-phenylethanol 5.84
    styrene 1.4
    dioctyl adipate 4.7
    dimethyl sulfate 13.47
    ethyl butyrate 3.91
    methyl lactate 4.67
    butyl lactate 4.01
    diethyl carbonate 3.53
    propanediol butyl ether 3.6
    triethyl orthoformate 4.43
    p-tert-butyltoluene 2.2
    methyl 4-tert-butylbenzoate 9.0
    morpholine 6.5
    tert-butylamine 0.52
    n-dodecanol 1.79
    dimethoxymethane 8.1
    ethylene carbonate 4.41
    cyrene 11.02
    2-ethoxyethyl acetate 6.53
    2-ethylhexyl acetate 4.25
    1,2,4-trichlorobenzene 3.34
    4-methylpyridine 6.5
    dibutyl ether 2.21
    2,6-dimethyl-4-heptanol 1.82
    DEF 7.8
    dimethyl isosorbide 17.08
    tetrachloroethylene 1.79
    eugenol 8.71
    triacetin 6.45
    span 80 5.49
    1,4-butanediol 0.6
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 0.92
    methyl formate 3.17
    2-methyl-1-butanol 0.47
    n-decane 0.28
    butyronitrile 0.95
    3,7-dimethyl-1-octanol 2.31
    1-chlorooctane 1.43
    1-chlorotetradecane 0.75
    n-nonane 0.18
    undecane 0.23
    tert-butylcyclohexane 0.16
    cyclooctane 0.04
    cyclopentanol 1.49
    tetrahydropyran 2.31
    tert-amyl methyl ether 1.27
    2,5,8-trioxanonane 12.36
    1-hexene 0.19
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 1.33
    methyl butyrate 3.41

    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