Cyclovariegatin

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  • Identifiers

    CAS number
    55692-59-6

    Molecular formula
    C18H10O8

    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.61%
    Phenolic 41.74%
    Burnt 37.58%
    Savory 19.73%
    Balsamic 19.71%
    Smoky 19.23%
    Spicy 19.06%
    Caramellic 19.01%
    Vanilla 18.5%
    Bitter 17.47%

     

    Flavor
    Bitter 93.69%
    Odorless 28.42%
    Bland 22.08%
    Sweet-like 21.15%
    Nitrile 19.42%
    Cedarleaf 19.33%
    Lovage 19.14%
    Very strong 18.96%
    Rotten 18.64%
    Indole 18.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.96 (neutral)

    Molecular weight
    354.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    465°C

    Melting point expt.

    • 300 °C

    Flash point

    • 328.11 ˚C est.

  • Synonyms

    • Cyclovariegatin
    • JP8UL2J9LA
    • UNII-JP8UL2J9LA
    • 55692-59-6
    • 1,4-Dibenzofurandione, 3-(3,4-dihydroxyphenyl)-2,7,8-trihydroxy-
    • 3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxy-1,4-dibenzofurandione
    • DTXSID301178863
    • 3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxydibenzo[b,d]furan-1,4-dione
    • 55692-59-6

  • Applications

    Cyclovariegatin (CAS 55692-59-6) may be used as an intermediate in organic synthesis; commonly evaluated as a precursor for dyes or pigments; considered for use in coatings and inks as a reactive additive; may participate in polymer formulations as an additive to modify properties; and is being explored for applications in electronics-related materials and other specialty substrates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.15
    methanol 7.59
    isopropanol 9.25
    water 0.1
    ethyl acetate 8.74
    n-propanol 12.23
    acetone 8.15
    n-butanol 8.36
    acetonitrile 2.15
    DMF 87.69
    toluene 0.91
    isobutanol 4.89
    1,4-dioxane 26.1
    methyl acetate 10.7
    THF 90.02
    2-butanone 21.19
    n-pentanol 3.93
    sec-butanol 11.64
    n-hexane 0.04
    ethylene glycol 14.16
    NMP 53.43
    cyclohexane 0.09
    DMSO 125.48
    n-butyl acetate 5.22
    n-octanol 7.9
    chloroform 0.09
    n-propyl acetate 4.87
    acetic acid 8.41
    dichloromethane 0.12
    cyclohexanone 19.06
    propylene glycol 11.61
    isopropyl acetate 6.78
    DMAc 126.58
    2-ethoxyethanol 33.84
    isopentanol 5.83
    n-heptane 0.1
    ethyl formate 4.79
    1,2-dichloroethane 0.43
    n-hexanol 3.96
    2-methoxyethanol 87.73
    isobutyl acetate 1.11
    tetrachloromethane 0.04
    n-pentyl acetate 7.14
    transcutol 30.13
    n-heptanol 6.13
    ethylbenzene 0.5
    MIBK 5.28
    2-propoxyethanol 31.82
    tert-butanol 9.34
    MTBE 5.64
    2-butoxyethanol 18.45
    propionic acid 9.53
    o-xylene 0.89
    formic acid 11.46
    diethyl ether 6.12
    m-xylene 0.6
    p-xylene 0.42
    chlorobenzene 0.16
    dimethyl carbonate 8.48
    n-octane 0.14
    formamide 28.05
    cyclopentanone 34.15
    2-pentanone 11.88
    anisole 2.54
    cyclopentyl methyl ether 13.45
    gamma-butyrolactone 31.96
    1-methoxy-2-propanol 57.19
    pyridine 12.06
    3-pentanone 8.07
    furfural 12.55
    n-dodecane 0.19
    diethylene glycol 29.72
    diisopropyl ether 1.12
    tert-amyl alcohol 11.33
    acetylacetone 12.58
    n-hexadecane 0.22
    acetophenone 3.55
    methyl propionate 15.16
    isopentyl acetate 3.38
    trichloroethylene 0.55
    n-nonanol 8.54
    cyclohexanol 8.47
    benzyl alcohol 3.85
    2-ethylhexanol 2.37
    isooctanol 3.75
    dipropyl ether 4.63
    1,2-dichlorobenzene 0.14
    ethyl lactate 5.66
    propylene carbonate 5.65
    n-methylformamide 29.44
    2-pentanol 5.55
    n-pentane 0.06
    1-propoxy-2-propanol 21.52
    1-methoxy-2-propyl acetate 11.88
    2-(2-methoxypropoxy) propanol 13.82
    mesitylene 0.32
    ε-caprolactone 22.73
    p-cymene 0.51
    epichlorohydrin 18.02
    1,1,1-trichloroethane 0.13
    2-aminoethanol 19.19
    morpholine-4-carbaldehyde 59.57
    sulfolane 48.68
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 23.97
    n-hexyl acetate 9.25
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 21.42
    sec-butyl acetate 2.96
    tert-butyl acetate 8.17
    decalin 0.05
    glycerin 33.39
    diglyme 30.18
    acrylic acid 8.39
    isopropyl myristate 4.23
    n-butyric acid 9.77
    acetyl acetate 2.23
    di(2-ethylhexyl) phthalate 2.18
    ethyl propionate 5.83
    nitromethane 18.33
    1,2-diethoxyethane 10.28
    benzonitrile 1.42
    trioctyl phosphate 3.29
    1-bromopropane 0.4
    gamma-valerolactone 62.68
    n-decanol 6.02
    triethyl phosphate 2.35
    4-methyl-2-pentanol 2.62
    propionitrile 4.05
    vinylene carbonate 4.09
    1,1,2-trichlorotrifluoroethane 14.41
    DMS 5.56
    cumene 0.26
    2-octanol 5.81
    2-hexanone 6.01
    octyl acetate 6.3
    limonene 0.96
    1,2-dimethoxyethane 40.58
    ethyl orthosilicate 2.25
    tributyl phosphate 2.58
    diacetone alcohol 22.31
    N,N-dimethylaniline 2.05
    acrylonitrile 5.89
    aniline 3.91
    1,3-propanediol 29.37
    bromobenzene 0.09
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.83
    2-methyl-cyclohexyl acetate 2.36
    tetrabutyl urea 6.44
    diisobutyl methanol 1.84
    2-phenylethanol 3.76
    styrene 0.38
    dioctyl adipate 4.55
    dimethyl sulfate 14.19
    ethyl butyrate 4.34
    methyl lactate 18.62
    butyl lactate 7.63
    diethyl carbonate 2.16
    propanediol butyl ether 14.91
    triethyl orthoformate 4.29
    p-tert-butyltoluene 0.55
    methyl 4-tert-butylbenzoate 5.94
    morpholine 54.17
    tert-butylamine 2.36
    n-dodecanol 4.0
    dimethoxymethane 45.62
    ethylene carbonate 4.31
    cyrene 11.1
    2-ethoxyethyl acetate 10.17
    2-ethylhexyl acetate 2.47
    1,2,4-trichlorobenzene 0.35
    4-methylpyridine 6.6
    dibutyl ether 5.33
    2,6-dimethyl-4-heptanol 1.84
    DEF 28.92
    dimethyl isosorbide 13.93
    tetrachloroethylene 0.5
    eugenol 6.54
    triacetin 5.89
    span 80 10.57
    1,4-butanediol 7.04
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 3.04
    methyl formate 12.03
    2-methyl-1-butanol 6.38
    n-decane 0.37
    butyronitrile 3.08
    3,7-dimethyl-1-octanol 3.66
    1-chlorooctane 1.36
    1-chlorotetradecane 0.57
    n-nonane 0.27
    undecane 0.26
    tert-butylcyclohexane 0.04
    cyclooctane 0.06
    cyclopentanol 11.14
    tetrahydropyran 17.75
    tert-amyl methyl ether 7.76
    2,5,8-trioxanonane 23.53
    1-hexene 0.26
    2-isopropoxyethanol 14.74
    2,2,2-trifluoroethanol 4.05
    methyl butyrate 7.23

    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