Physcion

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  • Identifiers

    CAS number
    521-61-9

    Molecular formula
    C16H12O5

    SMILES
    CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 48.49%
    Odorless 45.19%
    Sweet 35.2%
    Spicy 30.79%
    Woody 30.59%
    Dry 28.56%
    Powdery 25.83%
    Vanilla 25.42%
    Balsamic 25.37%
    Burnt 24.91%

     

    Flavor
    Bitter 94.48%
    Odorless 24.01%
    Bland 20.55%
    Cedarleaf 19.57%
    Lovage 19.48%
    Parsley 19.13%
    Sweet-like 19.05%
    Nitrile 18.81%
    Ripe apricot 18.44%
    Very strong 18.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.3 (weak base)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    537°C

    Flash point

    • 246.19 ˚C est.

  • Synonyms

    • Physcion
    • 521-61-9
    • Physcione
    • Rheochrysidin
    • Emodin 3-methyl ether
    • 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
    • 1,8-Dihydroxy-3-methoxy-6-methyl-9,10-anthracenedione
    • Parienin
    • Emodin monomethyl ether
    • H6PT94IV61
    • ANTHRAQUINONE, 1,8-DIHYDROXY-3-METHOXY-6-METHYL-
    • NSC-251670
    • CHEBI:38167
    • DTXSID20200101
    • RefChem:45131
    • DTXCID80122592
    • 208-315-7
    • Emodin-3-methyl ether
    • 1,8-Dihydroxy-3-methoxy-6-methylanthraquinone
    • NSC 251670
    • MFCD00017374
    • 1,8-Dihydroxy-3-methyl-6-methoxyanthraquinone
    • Rheochrysidin (Physcione)
    • Parietin;Rheochrysidin
    • 1,8-Dihydroxy-3-methyl-6-methoxy-9,10-anthraquinone
    • NSC251670
    • CHEMBL42624
    • 1,8-Dihydroxy-3-methoxy-6-methyl-anthraquinone
    • 1,8-dihydroxy-3-methoxy-6-methyl-anthracene-9,10-dione
    • 9,10-Anthracenedione, 1,8-dihydroxy-3-methoxy-6-methyl-
    • Methoxyemodin
    • CCRIS 4399
    • 6-O-METHYLEMODIN
    • EINECS 208-315-7
    • BRN 1915778
    • fischione
    • physicion
    • UNII-H6PT94IV61
    • Physcion (Standard)
    • emodin monomethylether
    • PHYSCIONE-
    • Spectrum_001782
    • SpecPlus_000471
    • Spectrum2_000503
    • Spectrum3_001829
    • Spectrum4_000909
    • Spectrum5_001742
    • 1,8-dihydroxy-6-methoxy-3-methylanthraquinone
    • BSPBio_003477
    • KBioGR_001378
    • KBioSS_002265
    • Physcion, analytical standard
    • DivK1c_006567
    • SCHEMBL486155
    • SPECTRUM1504070
    • SPBio_000425
    • MEGxm0_000018
    • orb1304617
    • SCHEMBL29404320
    • SCHEMBL30425832
    • HY-N0108R
    • KBio1_001511
    • KBio2_002264
    • KBio2_004832
    • KBio2_007400
    • KBio3_002981
    • HMS3656I15
    • HMS3874M13
    • Physcion, >=98.0% (TLC)
    • EX-A6797
    • HY-N0108
    • MSK40046
    • QYB75127
    • EMODIN 3-METHYL ETHER [MI]
    • BDBM50005886
    • CCG-38713
    • s2395
    • AKOS015905689
    • CHRYSOPHANIC ACID, 6-METHOXY-
    • AC-7979
    • FP27033
    • KS-5385
    • SDCCGMLS-0066772.P001
    • NCGC00096075-01
    • NCGC00096075-02
    • NCGC00096075-03
    • 9, 1,8-dihydroxy-3-methoxy-6-methyl-
    • AS-15488
    • DA-66695
    • NCI60_002011
    • SY028089
    • CS-0007795
    • NS00010362
    • SW219324-1
    • Anthraquinone,8-dihydroxy-3-methoxy-6-methyl-
    • C17045
    • 521P619
    • AC-542/20316002
    • SR-05000002537
    • Q1668551
    • SR-05000002537-1
    • 8,9-dihydroxy-3-methyl-6-methoxy-1,10-anthraquinone
    • 8,9-dihydroxy-6-methyl-3-methoxy-1,10-anthraquinone
    • BRD-K67772619-001-03-6
    • BRD-K67772619-001-05-1
    • 1,8-Dihydroxy-3-methoxy-6-methylanthra-9,10-quinone #
    • 7-methoxy-2-methyl-4,5-dihydroxyanthracene-9,10-dione
    • 1,8-Dihydroxy-3-methoxy-6-methylanthraquinone, Emodin-3-methyl ether
    • 521-61-9

  • Applications

    Physcion (CAS 521-61-9) is an anthraquinone derivative used mainly as a colorant and pigment in coatings, inks, and plastics, imparting orange-red hues; it is commonly employed as an intermediate or building block in the synthesis of pharmaceutical and other fine chemicals; it may be used as a colorant or pigment in cosmetics/personal care formulations; in research and manufacturing settings it can serve as an analytical reagent or reference standard for spectroscopic work; and it has potential as a dye/pigment component for specialty polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.53
    methanol 0.27
    isopropanol 0.5
    water 0.0
    ethyl acetate 3.21
    n-propanol 0.63
    acetone 2.38
    n-butanol 0.67
    acetonitrile 2.31
    DMF 29.39
    toluene 0.79
    isobutanol 0.49
    1,4-dioxane 9.31
    methyl acetate 4.46
    THF 33.97
    2-butanone 3.45
    n-pentanol 0.78
    sec-butanol 0.4
    n-hexane 0.01
    ethylene glycol 1.25
    NMP 56.82
    cyclohexane 0.02
    DMSO 43.59
    n-butyl acetate 6.41
    n-octanol 1.75
    chloroform 2.03
    n-propyl acetate 4.74
    acetic acid 4.22
    dichloromethane 1.76
    cyclohexanone 11.07
    propylene glycol 1.11
    isopropyl acetate 3.33
    DMAc 54.4
    2-ethoxyethanol 6.18
    isopentanol 1.17
    n-heptane 0.03
    ethyl formate 2.24
    1,2-dichloroethane 2.14
    n-hexanol 1.36
    2-methoxyethanol 13.82
    isobutyl acetate 4.42
    tetrachloromethane 0.2
    n-pentyl acetate 3.88
    transcutol 18.67
    n-heptanol 1.94
    ethylbenzene 0.85
    MIBK 3.45
    2-propoxyethanol 15.81
    tert-butanol 1.83
    MTBE 0.9
    2-butoxyethanol 9.08
    propionic acid 2.33
    o-xylene 0.88
    formic acid 2.88
    diethyl ether 0.51
    m-xylene 0.95
    p-xylene 1.37
    chlorobenzene 1.29
    dimethyl carbonate 8.91
    n-octane 0.03
    formamide 6.95
    cyclopentanone 24.2
    2-pentanone 2.77
    anisole 4.73
    cyclopentyl methyl ether 5.52
    gamma-butyrolactone 32.57
    1-methoxy-2-propanol 11.17
    pyridine 8.23
    3-pentanone 2.15
    furfural 23.54
    n-dodecane 0.07
    diethylene glycol 17.97
    diisopropyl ether 0.33
    tert-amyl alcohol 1.22
    acetylacetone 10.22
    n-hexadecane 0.09
    acetophenone 8.33
    methyl propionate 5.34
    isopentyl acetate 7.45
    trichloroethylene 7.56
    n-nonanol 2.07
    cyclohexanol 1.4
    benzyl alcohol 4.65
    2-ethylhexanol 1.81
    isooctanol 1.93
    dipropyl ether 1.94
    1,2-dichlorobenzene 2.25
    ethyl lactate 6.37
    propylene carbonate 12.77
    n-methylformamide 6.59
    2-pentanol 0.44
    n-pentane 0.01
    1-propoxy-2-propanol 10.28
    1-methoxy-2-propyl acetate 15.09
    2-(2-methoxypropoxy) propanol 12.9
    mesitylene 0.67
    ε-caprolactone 13.96
    p-cymene 1.5
    epichlorohydrin 26.83
    1,1,1-trichloroethane 1.79
    2-aminoethanol 1.69
    morpholine-4-carbaldehyde 42.4
    sulfolane 63.46
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 7.84
    n-hexyl acetate 4.98
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 13.06
    sec-butyl acetate 3.89
    tert-butyl acetate 6.78
    decalin 0.09
    glycerin 7.59
    diglyme 25.44
    acrylic acid 4.18
    isopropyl myristate 2.9
    n-butyric acid 3.07
    acetyl acetate 4.08
    di(2-ethylhexyl) phthalate 4.88
    ethyl propionate 5.17
    nitromethane 16.64
    1,2-diethoxyethane 5.19
    benzonitrile 5.59
    trioctyl phosphate 3.47
    1-bromopropane 0.49
    gamma-valerolactone 37.21
    n-decanol 1.65
    triethyl phosphate 6.46
    4-methyl-2-pentanol 0.81
    propionitrile 2.37
    vinylene carbonate 10.51
    1,1,2-trichlorotrifluoroethane 26.74
    DMS 10.36
    cumene 0.87
    2-octanol 1.19
    2-hexanone 4.38
    octyl acetate 3.61
    limonene 1.45
    1,2-dimethoxyethane 17.12
    ethyl orthosilicate 5.22
    tributyl phosphate 3.84
    diacetone alcohol 13.74
    N,N-dimethylaniline 4.64
    acrylonitrile 5.65
    aniline 2.91
    1,3-propanediol 3.15
    bromobenzene 1.2
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 6.46
    2-methyl-cyclohexyl acetate 7.99
    tetrabutyl urea 6.47
    diisobutyl methanol 1.66
    2-phenylethanol 7.3
    styrene 0.82
    dioctyl adipate 5.77
    dimethyl sulfate 26.72
    ethyl butyrate 6.03
    methyl lactate 9.65
    butyl lactate 5.64
    diethyl carbonate 5.62
    propanediol butyl ether 6.48
    triethyl orthoformate 6.27
    p-tert-butyltoluene 1.41
    methyl 4-tert-butylbenzoate 10.91
    morpholine 13.63
    tert-butylamine 0.57
    n-dodecanol 1.27
    dimethoxymethane 15.71
    ethylene carbonate 8.18
    cyrene 21.44
    2-ethoxyethyl acetate 7.92
    2-ethylhexyl acetate 6.0
    1,2,4-trichlorobenzene 4.29
    4-methylpyridine 7.58
    dibutyl ether 1.86
    2,6-dimethyl-4-heptanol 1.66
    DEF 8.07
    dimethyl isosorbide 31.52
    tetrachloroethylene 2.88
    eugenol 12.14
    triacetin 9.69
    span 80 8.19
    1,4-butanediol 1.22
    1,1-dichloroethane 0.92
    2-methyl-1-pentanol 1.28
    methyl formate 5.62
    2-methyl-1-butanol 0.81
    n-decane 0.09
    butyronitrile 1.64
    3,7-dimethyl-1-octanol 2.03
    1-chlorooctane 0.69
    1-chlorotetradecane 0.43
    n-nonane 0.06
    undecane 0.08
    tert-butylcyclohexane 0.09
    cyclooctane 0.01
    cyclopentanol 2.19
    tetrahydropyran 3.1
    tert-amyl methyl ether 1.29
    2,5,8-trioxanonane 21.59
    1-hexene 0.12
    2-isopropoxyethanol 5.02
    2,2,2-trifluoroethanol 3.27
    methyl butyrate 6.29

    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