Chrysoobtusin

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  • Identifiers

    CAS number
    70588-06-6

    Molecular formula
    C19H18O7

    SMILES
    CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.15%
    Spicy 46.98%
    Vanilla 44.01%
    Sweet 42.67%
    Woody 39.36%
    Balsamic 38.06%
    Powdery 36.61%
    Smoky 33.58%
    Burnt 32.32%
    Floral 31.92%

     

    Flavor
    Bitter 84.7%
    Bland 26.35%
    Odorless 21.46%
    Parsley 21.41%
    Eugenol 19.9%
    Sweet-like 19.79%
    Cedarleaf 19.78%
    Lovage 19.44%
    Ripe apricot 18.67%
    Red fruit 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.67 (neutral)

    Molecular weight
    358.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    752°C

    Melting point expt.

    • 219 - 220 °C

    Flash point

    • 221.66 ˚C est.

  • Synonyms

    • Chrysoobtusin
    • 70588-06-6
    • 2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione
    • 9,10-Anthracenedione, 2-hydroxy-1,6,7,8-tetramethoxy-3-methyl-
    • DTXSID30220870
    • 2-HYDROXY-1,6,7,8-TETRAMETHOXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE
    • RefChem:1081564
    • DTXCID60143361
    • Chryso-obtusin
    • MFCD22124993
    • CHEBI:81263
    • 2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone
    • CHEMBL461085
    • orb1299088
    • SCHEMBL16226057
    • BDBM50133044
    • AKOS016010638
    • EBC-617631
    • AS-83240
    • DA-51883
    • HY-133860
    • CS-0134407
    • C17669
    • Q27155204
    • 2-hydroxy-1,6,7,8-tetramethoxy-3-methyl-anthracene-9,10-dione
    • 70588-06-6

  • Applications

    Chrysoobtusin (CAS 70588-06-6) may be used as a yellow pigment or colorant in coatings, inks, and plastics, leveraging its chromophore to impart color in decorative and branding formulations. It is often evaluated as an organic synthesis intermediate for pharmaceutical or agrochemical molecules. In cosmetics and personal care, it can be considered as a colorant in color cosmetics and hair or skin formulations, subject to formulation constraints and regulatory considerations. In fragrance applications, it may be explored as an odorant or fixative component in specialty formulations. It can also serve as a reference material or reagent in analytical chemistry for method development and quality control.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.46
    methanol 0.42
    isopropanol 0.5
    water 0.01
    ethyl acetate 8.02
    n-propanol 0.61
    acetone 4.93
    n-butanol 0.62
    acetonitrile 3.7
    DMF 14.44
    toluene 1.22
    isobutanol 0.6
    1,4-dioxane 5.67
    methyl acetate 8.33
    THF 10.99
    2-butanone 5.71
    n-pentanol 0.78
    sec-butanol 0.67
    n-hexane 0.15
    ethylene glycol 0.6
    NMP 40.54
    cyclohexane 0.21
    DMSO 14.04
    n-butyl acetate 8.11
    n-octanol 1.15
    chloroform 12.9
    n-propyl acetate 6.78
    acetic acid 6.91
    dichloromethane 15.36
    cyclohexanone 11.8
    propylene glycol 0.29
    isopropyl acetate 5.83
    DMAc 30.29
    2-ethoxyethanol 3.85
    isopentanol 0.95
    n-heptane 0.2
    ethyl formate 4.01
    1,2-dichloroethane 10.13
    n-hexanol 1.37
    2-methoxyethanol 4.41
    isobutyl acetate 4.2
    tetrachloromethane 2.93
    n-pentyl acetate 5.83
    transcutol 7.64
    n-heptanol 1.55
    ethylbenzene 1.51
    MIBK 3.92
    2-propoxyethanol 7.87
    tert-butanol 1.22
    MTBE 1.81
    2-butoxyethanol 5.49
    propionic acid 3.93
    o-xylene 1.81
    formic acid 3.37
    diethyl ether 1.93
    m-xylene 1.29
    p-xylene 2.17
    chlorobenzene 3.13
    dimethyl carbonate 12.31
    n-octane 0.15
    formamide 6.77
    cyclopentanone 17.84
    2-pentanone 4.71
    anisole 3.9
    cyclopentyl methyl ether 4.62
    gamma-butyrolactone 28.12
    1-methoxy-2-propanol 3.23
    pyridine 7.9
    3-pentanone 5.98
    furfural 23.04
    n-dodecane 0.15
    diethylene glycol 7.58
    diisopropyl ether 1.08
    tert-amyl alcohol 1.54
    acetylacetone 11.37
    n-hexadecane 0.19
    acetophenone 9.31
    methyl propionate 9.17
    isopentyl acetate 7.84
    trichloroethylene 25.69
    n-nonanol 1.45
    cyclohexanol 1.6
    benzyl alcohol 3.24
    2-ethylhexanol 1.94
    isooctanol 1.59
    dipropyl ether 2.66
    1,2-dichlorobenzene 5.72
    ethyl lactate 5.02
    propylene carbonate 13.61
    n-methylformamide 5.76
    2-pentanol 0.66
    n-pentane 0.09
    1-propoxy-2-propanol 5.46
    1-methoxy-2-propyl acetate 13.55
    2-(2-methoxypropoxy) propanol 7.25
    mesitylene 1.06
    ε-caprolactone 14.23
    p-cymene 2.45
    epichlorohydrin 21.16
    1,1,1-trichloroethane 9.2
    2-aminoethanol 0.73
    morpholine-4-carbaldehyde 27.96
    sulfolane 40.25
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 5.83
    n-hexyl acetate 5.51
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 6.08
    sec-butyl acetate 5.11
    tert-butyl acetate 7.45
    decalin 0.38
    glycerin 1.74
    diglyme 16.3
    acrylic acid 6.41
    isopropyl myristate 2.9
    n-butyric acid 3.84
    acetyl acetate 10.92
    di(2-ethylhexyl) phthalate 3.91
    ethyl propionate 7.71
    nitromethane 24.56
    1,2-diethoxyethane 4.87
    benzonitrile 4.99
    trioctyl phosphate 3.08
    1-bromopropane 2.66
    gamma-valerolactone 24.1
    n-decanol 1.11
    triethyl phosphate 8.37
    4-methyl-2-pentanol 0.77
    propionitrile 3.06
    vinylene carbonate 14.86
    1,1,2-trichlorotrifluoroethane 26.14
    DMS 13.18
    cumene 1.58
    2-octanol 1.12
    2-hexanone 4.99
    octyl acetate 3.52
    limonene 2.9
    1,2-dimethoxyethane 10.2
    ethyl orthosilicate 6.78
    tributyl phosphate 3.9
    diacetone alcohol 7.71
    N,N-dimethylaniline 4.48
    acrylonitrile 6.3
    aniline 2.39
    1,3-propanediol 1.28
    bromobenzene 3.22
    dibromomethane 7.76
    1,1,2,2-tetrachloroethane 16.91
    2-methyl-cyclohexyl acetate 8.33
    tetrabutyl urea 5.98
    diisobutyl methanol 1.6
    2-phenylethanol 5.36
    styrene 1.54
    dioctyl adipate 5.31
    dimethyl sulfate 29.27
    ethyl butyrate 7.44
    methyl lactate 6.2
    butyl lactate 4.44
    diethyl carbonate 7.23
    propanediol butyl ether 2.61
    triethyl orthoformate 6.88
    p-tert-butyltoluene 2.18
    methyl 4-tert-butylbenzoate 10.38
    morpholine 6.47
    tert-butylamine 0.66
    n-dodecanol 0.88
    dimethoxymethane 9.43
    ethylene carbonate 11.19
    cyrene 13.14
    2-ethoxyethyl acetate 9.92
    2-ethylhexyl acetate 7.37
    1,2,4-trichlorobenzene 8.2
    4-methylpyridine 6.45
    dibutyl ether 1.95
    2,6-dimethyl-4-heptanol 1.6
    DEF 11.4
    dimethyl isosorbide 19.78
    tetrachloroethylene 14.01
    eugenol 9.25
    triacetin 10.19
    span 80 4.47
    1,4-butanediol 0.71
    1,1-dichloroethane 4.88
    2-methyl-1-pentanol 1.25
    methyl formate 6.5
    2-methyl-1-butanol 0.92
    n-decane 0.24
    butyronitrile 2.11
    3,7-dimethyl-1-octanol 1.49
    1-chlorooctane 1.2
    1-chlorotetradecane 0.63
    n-nonane 0.19
    undecane 0.18
    tert-butylcyclohexane 0.28
    cyclooctane 0.13
    cyclopentanol 1.83
    tetrahydropyran 3.13
    tert-amyl methyl ether 2.52
    2,5,8-trioxanonane 12.03
    1-hexene 0.55
    2-isopropoxyethanol 3.65
    2,2,2-trifluoroethanol 8.29
    methyl butyrate 8.24

    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