Anthralin

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  • Identifiers

    CAS number
    1143-38-0

    Molecular formula
    C14H10O3

    SMILES
    C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 66.01%
    Sweet 36.98%
    Odorless 36.13%
    Spicy 34.93%
    Medicinal 34.16%
    Woody 27.03%
    Bitter 27.03%
    Burnt 27.02%
    Balsamic 26.76%
    Animal 25.11%

     

    Flavor
    Bitter 94.54%
    Very strong 20.44%
    Cedarleaf 20.29%
    Indole 20.19%
    Lovage 20.1%
    Nitrile 19.86%
    Sweet-like 19.28%
    Parsley 19.05%
    Ripe apricot 18.95%
    Rotten 18.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.78 (weak base)

    Molecular weight
    226.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Melting point expt.

    • 349 to 358 °F (NTP, 1992)
    • 178-182 °C

    Flash point

    • 231.52 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • not soluble in water

  • Synonyms

    • anthralin
    • Dithranol
    • 1143-38-0
    • 1,8-Dihydroxyanthrone
    • Cignolin
    • 9(10H)-Anthracenone, 1,8-dihydroxy-
    • 1,8-Dihydroxy-9-anthrone
    • Chrysodermol
    • Cigthranol
    • Batridol
    • Psoriacid-Stift
    • 1,8-Dihydroxyanthracen-9(10H)-one
    • Anthra-Derm
    • Drithoscalp
    • Derobin
    • DrithoCreme
    • Lasan
    • Batidrol
    • Psodadrate
    • Psoriacide
    • Anthrone, 1,8-dihydroxy-
    • 1,8-dihydroxy-10H-anthracen-9-one
    • Dithranolum
    • Anthraderm
    • Dermaline
    • 1,8-DIHYDROXY-9(10H)-ANTHRACENONE
    • Zithranol-RR
    • CCRIS 628
    • NSC 43970
    • Anthraline
    • Ditranol
    • NSC 629313
    • CHEBI:37510
    • UNII-U8CJK0JH5M
    • Dithranolum [INN-Latin]
    • U8CJK0JH5M
    • EINECS 214-538-0
    • Anthralin (USP)
    • Anthralin [USP]
    • Dithranol [INN]
    • MFCD00053409
    • NSC-43970
    • NSC-629313
    • BRN 2054360
    • CCRIS 5592
    • DTXSID7024538
    • NSC629313
    • NSC 403736
    • BRN 1976792
    • CHEMBL46469
    • DTXCID504538
    • Dithranol (INN)
    • 4-06-00-07602 (Beilstein Handbook Reference)
    • NSC43970
    • NCGC00091330-01
    • DITHRANOL (IARC)
    • DITHRANOL [IARC]
    • Dithranolum (INN-Latin)
    • 1,8-dihydroxy-9,10-dihydroanthracen-9-one
    • 1,8-Dihydroxy-9(10H)-anthracenone;Anthralin
    • DITHRANOL (MART.)
    • DITHRANOL [MART.]
    • ANTHRALIN (USP-RS)
    • ANTHRALIN [USP-RS]
    • DITHRANOL (EP IMPURITY)
    • DITHRANOL [EP IMPURITY]
    • DITHRANOL (EP MONOGRAPH)
    • DITHRANOL [EP MONOGRAPH]
    • ANTHRALIN (USP MONOGRAPH)
    • ANTHRALIN [USP MONOGRAPH]
    • Dihydroxyanthranol
    • CAS-1143-38-0
    • Anthralin (Dithranol)
    • SR-05000002011
    • 1,8 Dihydroxy 9 anthrone
    • Zithranol
    • Prestwick_528
    • Anthralin, Dithranol
    • BATRIDROL
    • Dithranol (Standard)
    • Anthrone,8-dihydroxy-
    • Spectrum_000056
    • 1,8-dihydroxy-anthrone
    • ANTHRADERM (TN)
    • ANTHRALIN [MI]
    • Spectrum2_000111
    • Spectrum3_000304
    • Spectrum4_000151
    • Spectrum5_000820
    • ANTHRALIN [VANDF]
    • Epitope ID:114081
    • 1,8-dihydroxy-9-anthrane
    • cid_2202
    • DITHRANOL [WHO-DD]
    • DITHRANOL [WHO-IP]
    • SCHEMBL3197
    • BSPBio_001868
    • KBioGR_000622
    • KBioSS_000436
    • MLS001332632
    • MLS002415712
    • DivK1c_000021
    • SPECTRUM1500127
    • SPBio_000122
    • Dithranol, >=90% (HPLC)
    • HMS500B03
    • HY-B0738R
    • KBio1_000021
    • KBio2_000436
    • KBio2_003004
    • KBio2_005572
    • KBio3_001368
    • NUZWLKWWNNJHPT-UHFFFAOYSA-
    • D05AC01
    • 1,8-Dihydroxyanthrone; Dithranol
    • NINDS_000021
    • HMS1920E07
    • HMS2091K07
    • HMS2271B09
    • HMS3715H19
    • Pharmakon1600-01500127
    • HY-B0738
    • 9(10H)-Anthracenone,8-dihydroxy-
    • Tox21_111115
    • Tox21_201851
    • Tox21_300290
    • BDBM50041802
    • CCG-38920

  • Applications

    Anthralin (CAS 1143-38-0) is used as a pharmaceutical topical ingredient in dermatological formulations, typically in controlled preparations for local application; it also serves as a chemical intermediate in organic synthesis, enabling the preparation of related anthracene derivatives and other complex molecules; in research and development, it functions as a laboratory reagent for synthesis and analytical studies; and in pigment and dye chemistry, it may be employed as a precursor to related compounds in industrial manufacturing, with handling and use governed by applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.74
    methanol 2.7
    isopropanol 2.77
    water 0.01
    ethyl acetate 12.93
    n-propanol 3.35
    acetone 16.96
    n-butanol 3.34
    acetonitrile 4.81
    DMF 86.54
    toluene 4.96
    isobutanol 2.62
    1,4-dioxane 34.09
    methyl acetate 13.55
    THF 103.59
    2-butanone 15.0
    n-pentanol 4.25
    sec-butanol 2.08
    n-hexane 0.14
    ethylene glycol 2.09
    NMP 91.13
    cyclohexane 0.19
    DMSO 89.17
    n-butyl acetate 14.38
    n-octanol 5.37
    chloroform 4.1
    n-propyl acetate 12.11
    acetic acid 9.83
    dichloromethane 5.33
    cyclohexanone 40.77
    propylene glycol 2.65
    isopropyl acetate 11.89
    DMAc 62.12
    2-ethoxyethanol 13.08
    isopentanol 4.64
    n-heptane 0.49
    ethyl formate 9.24
    1,2-dichloroethane 9.33
    n-hexanol 7.41
    2-methoxyethanol 27.99
    isobutyl acetate 8.25
    tetrachloromethane 0.78
    n-pentyl acetate 11.75
    transcutol 44.79
    n-heptanol 6.64
    ethylbenzene 3.21
    MIBK 12.97
    2-propoxyethanol 28.15
    tert-butanol 6.59
    MTBE 4.07
    2-butoxyethanol 17.02
    propionic acid 8.22
    o-xylene 3.67
    formic acid 4.09
    diethyl ether 4.86
    m-xylene 4.68
    p-xylene 4.16
    chlorobenzene 5.83
    dimethyl carbonate 17.95
    n-octane 0.27
    formamide 14.83
    cyclopentanone 73.42
    2-pentanone 16.09
    anisole 10.36
    cyclopentyl methyl ether 23.44
    gamma-butyrolactone 82.82
    1-methoxy-2-propanol 24.76
    pyridine 26.53
    3-pentanone 11.29
    furfural 51.65
    n-dodecane 0.45
    diethylene glycol 23.69
    diisopropyl ether 2.62
    tert-amyl alcohol 3.96
    acetylacetone 31.64
    n-hexadecane 0.55
    acetophenone 15.58
    methyl propionate 18.06
    isopentyl acetate 14.38
    trichloroethylene 19.38
    n-nonanol 6.02
    cyclohexanol 5.95
    benzyl alcohol 10.81
    2-ethylhexanol 6.57
    isooctanol 6.3
    dipropyl ether 8.96
    1,2-dichlorobenzene 6.45
    ethyl lactate 11.84
    propylene carbonate 31.74
    n-methylformamide 21.71
    2-pentanol 2.68
    n-pentane 0.1
    1-propoxy-2-propanol 20.99
    1-methoxy-2-propyl acetate 28.55
    2-(2-methoxypropoxy) propanol 18.99
    mesitylene 3.09
    ε-caprolactone 35.11
    p-cymene 4.7
    epichlorohydrin 67.59
    1,1,1-trichloroethane 4.64
    2-aminoethanol 4.22
    morpholine-4-carbaldehyde 70.69
    sulfolane 104.75
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 28.07
    n-hexyl acetate 14.5
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 24.7
    sec-butyl acetate 8.63
    tert-butyl acetate 14.89
    decalin 0.54
    glycerin 10.28
    diglyme 49.66
    acrylic acid 10.65
    isopropyl myristate 7.81
    n-butyric acid 11.45
    acetyl acetate 12.32
    di(2-ethylhexyl) phthalate 8.81
    ethyl propionate 12.49
    nitromethane 31.99
    1,2-diethoxyethane 15.97
    benzonitrile 12.62
    trioctyl phosphate 7.19
    1-bromopropane 2.89
    gamma-valerolactone 85.92
    n-decanol 4.92
    triethyl phosphate 10.47
    4-methyl-2-pentanol 3.63
    propionitrile 6.12
    vinylene carbonate 25.33
    1,1,2-trichlorotrifluoroethane 37.08
    DMS 20.05
    cumene 2.92
    2-octanol 4.66
    2-hexanone 12.98
    octyl acetate 9.35
    limonene 6.14
    1,2-dimethoxyethane 35.26
    ethyl orthosilicate 9.38
    tributyl phosphate 7.63
    diacetone alcohol 24.41
    N,N-dimethylaniline 9.16
    acrylonitrile 11.85
    aniline 9.87
    1,3-propanediol 7.85
    bromobenzene 4.69
    dibromomethane 2.95
    1,1,2,2-tetrachloroethane 15.26
    2-methyl-cyclohexyl acetate 13.9
    tetrabutyl urea 12.21
    diisobutyl methanol 5.49
    2-phenylethanol 14.38
    styrene 3.25
    dioctyl adipate 11.76
    dimethyl sulfate 36.54
    ethyl butyrate 12.88
    methyl lactate 18.62
    butyl lactate 13.02
    diethyl carbonate 9.95
    propanediol butyl ether 12.79
    triethyl orthoformate 12.63
    p-tert-butyltoluene 4.74
    methyl 4-tert-butylbenzoate 19.02
    morpholine 40.13
    tert-butylamine 2.95
    n-dodecanol 3.91
    dimethoxymethane 46.98
    ethylene carbonate 20.81
    cyrene 29.7
    2-ethoxyethyl acetate 18.89
    2-ethylhexyl acetate 11.45
    1,2,4-trichlorobenzene 10.07
    4-methylpyridine 20.95
    dibutyl ether 6.82
    2,6-dimethyl-4-heptanol 5.49
    DEF 23.19
    dimethyl isosorbide 43.53
    tetrachloroethylene 8.51
    eugenol 19.38
    triacetin 18.85
    span 80 15.51
    1,4-butanediol 3.14
    1,1-dichloroethane 3.88
    2-methyl-1-pentanol 4.9
    methyl formate 18.97
    2-methyl-1-butanol 3.21
    n-decane 0.68
    butyronitrile 5.84
    3,7-dimethyl-1-octanol 5.97
    1-chlorooctane 3.39
    1-chlorotetradecane 1.74
    n-nonane 0.49
    undecane 0.55
    tert-butylcyclohexane 0.55
    cyclooctane 0.15
    cyclopentanol 9.78
    tetrahydropyran 19.07
    tert-amyl methyl ether 4.81
    2,5,8-trioxanonane 35.53
    1-hexene 1.02
    2-isopropoxyethanol 11.37
    2,2,2-trifluoroethanol 6.02
    methyl butyrate 15.23

    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