Cyathusal C

Overview IFRA Request a quote

  • Identifiers

    CAS number
    943632-92-6

    Molecular formula
    C20H20O8

    SMILES
    C/C=C/C1=CC2=C(C3=C(C(=C(C(=C3C(O2)OC(C)C)C=O)OC)O)O)C(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.02%
    Spicy 34.75%
    Vanilla 29.15%
    Phenolic 26.83%
    Sweet 24.83%
    Burnt 24.79%
    Caramellic 23.78%
    Milky 21.79%
    Fruity 21.49%
    Smoky 20.75%

     

    Flavor
    Bitter 70.52%
    Odorless 22.02%
    Bland 20.4%
    Parsley 20.26%
    Cedarleaf 19.51%
    Lovage 19.33%
    Leaves 18.73%
    Heather 18.7%
    Ham 18.68%
    Ethyl benzoate 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.31 (neutral)

    Molecular weight
    388.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1198°C

    Flash point

    • 247.01 ˚C est.

  • Synonyms

    • cyathusal C
    • DV9X6303MC
    • 943632-92-6
    • 1H,6H-Pyrano(4,3-C)(2)benzopyran-7-carboxaldehyde, 9,10-dihydroxy-8-methoxy-6-(1-methylethoxy)-1-oxo-3-(1E)-1-propen-1-yl-
    • CHEBI:65704
    • 9,10-dihydroxy-8-methoxy-1-oxo-6-(propan-2-yloxy)-3-[(1E)-prop-1-en-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde
    • 9,10-dihydroxy-8-methoxy-1-oxo-6-propan-2-yloxy-3-[(E)-prop-1-enyl]-6H-pyrano[4,3-c]isochromene-7-carbaldehyde
    • 9,10-dihydroxy-8-methoxy-1-oxo-6-(propan-2-yloxy)-3-((1E)-prop-1-en-1-yl)-1H,6H-pyrano(4,3-c)isochromene-7-carbaldehyde
    • 9,10-dihydroxy-8-methoxy-1-oxo-6-propan-2-yloxy-3-((E)-prop-1-enyl)-6H-pyrano(4,3-c)isochromene-7-carbaldehyde
    • RefChem:129156
    • (+/-)-Cyathusal C
    • Cyathusal C, (+/-)-
    • Cyathusal C [INCI]
    • UNII-DV9X6303MC
    • CHEMBL228355
    • Q27134187
    • 943632-92-6

  • Applications

    Cyathusal C (CAS 943632-92-6) is an organic compound primarily used as an intermediate in organic synthesis; it may serve as a solvent or processing aid in certain industrial manufacturing processes; provides a building block for polymers or specialty chemicals; is evaluated for coatings and inks formulations as an additive; and is studied as a research reagent in pharmaceutical and agrochemical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.2
    methanol 8.26
    isopropanol 5.3
    water 0.07
    ethyl acetate 21.12
    n-propanol 7.13
    acetone 28.66
    n-butanol 6.12
    acetonitrile 17.16
    DMF 87.17
    toluene 3.64
    isobutanol 5.67
    1,4-dioxane 20.03
    methyl acetate 32.67
    THF 59.35
    2-butanone 27.05
    n-pentanol 4.94
    sec-butanol 5.9
    n-hexane 0.17
    ethylene glycol 6.61
    NMP 189.27
    cyclohexane 0.36
    DMSO 116.09
    n-butyl acetate 16.05
    n-octanol 2.13
    chloroform 36.52
    n-propyl acetate 16.54
    acetic acid 92.8
    dichloromethane 44.1
    cyclohexanone 43.96
    propylene glycol 6.46
    isopropyl acetate 12.76
    DMAc 152.86
    2-ethoxyethanol 21.8
    isopentanol 6.77
    n-heptane 0.18
    ethyl formate 18.18
    1,2-dichloroethane 30.41
    n-hexanol 4.75
    2-methoxyethanol 38.47
    isobutyl acetate 9.34
    tetrachloromethane 4.98
    n-pentyl acetate 9.85
    transcutol 34.01
    n-heptanol 3.32
    ethylbenzene 2.43
    MIBK 10.04
    2-propoxyethanol 30.4
    tert-butanol 6.82
    MTBE 4.86
    2-butoxyethanol 16.85
    propionic acid 30.08
    o-xylene 3.57
    formic acid 41.86
    diethyl ether 5.4
    m-xylene 2.7
    p-xylene 3.62
    chlorobenzene 8.69
    dimethyl carbonate 34.87
    n-octane 0.1
    formamide 57.54
    cyclopentanone 70.44
    2-pentanone 16.46
    anisole 8.32
    cyclopentyl methyl ether 15.65
    gamma-butyrolactone 110.67
    1-methoxy-2-propanol 25.39
    pyridine 31.36
    3-pentanone 16.22
    furfural 71.1
    n-dodecane 0.13
    diethylene glycol 30.46
    diisopropyl ether 1.53
    tert-amyl alcohol 7.49
    acetylacetone 28.95
    n-hexadecane 0.16
    acetophenone 17.64
    methyl propionate 31.2
    isopentyl acetate 14.79
    trichloroethylene 70.94
    n-nonanol 2.57
    cyclohexanol 9.17
    benzyl alcohol 12.88
    2-ethylhexanol 4.16
    isooctanol 3.13
    dipropyl ether 4.52
    1,2-dichlorobenzene 10.88
    ethyl lactate 16.28
    propylene carbonate 48.44
    n-methylformamide 41.24
    2-pentanol 3.96
    n-pentane 0.17
    1-propoxy-2-propanol 17.71
    1-methoxy-2-propyl acetate 26.14
    2-(2-methoxypropoxy) propanol 20.99
    mesitylene 1.58
    ε-caprolactone 46.53
    p-cymene 2.74
    epichlorohydrin 88.57
    1,1,1-trichloroethane 21.38
    2-aminoethanol 9.26
    morpholine-4-carbaldehyde 96.17
    sulfolane 157.26
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 27.98
    n-hexyl acetate 9.57
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 20.38
    sec-butyl acetate 10.34
    tert-butyl acetate 13.38
    decalin 0.4
    glycerin 21.63
    diglyme 39.48
    acrylic acid 43.65
    isopropyl myristate 4.52
    n-butyric acid 28.16
    acetyl acetate 21.69
    di(2-ethylhexyl) phthalate 9.1
    ethyl propionate 16.8
    nitromethane 126.44
    1,2-diethoxyethane 9.3
    benzonitrile 14.48
    trioctyl phosphate 6.08
    1-bromopropane 8.53
    gamma-valerolactone 94.87
    n-decanol 2.05
    triethyl phosphate 13.14
    4-methyl-2-pentanol 3.0
    propionitrile 13.27
    vinylene carbonate 46.3
    1,1,2-trichlorotrifluoroethane 93.96
    DMS 24.2
    cumene 2.06
    2-octanol 1.85
    2-hexanone 13.02
    octyl acetate 6.52
    limonene 3.71
    1,2-dimethoxyethane 30.95
    ethyl orthosilicate 10.89
    tributyl phosphate 7.71
    diacetone alcohol 24.17
    N,N-dimethylaniline 7.84
    acrylonitrile 25.42
    aniline 12.42
    1,3-propanediol 13.6
    bromobenzene 7.23
    dibromomethane 20.65
    1,1,2,2-tetrachloroethane 48.24
    2-methyl-cyclohexyl acetate 14.81
    tetrabutyl urea 11.86
    diisobutyl methanol 2.52
    2-phenylethanol 13.63
    styrene 2.96
    dioctyl adipate 10.24
    dimethyl sulfate 78.54
    ethyl butyrate 13.71
    methyl lactate 30.86
    butyl lactate 12.19
    diethyl carbonate 12.94
    propanediol butyl ether 11.02
    triethyl orthoformate 11.67
    p-tert-butyltoluene 2.3
    methyl 4-tert-butylbenzoate 18.69
    morpholine 32.48
    tert-butylamine 2.54
    n-dodecanol 1.61
    dimethoxymethane 38.99
    ethylene carbonate 36.53
    cyrene 36.24
    2-ethoxyethyl acetate 18.95
    2-ethylhexyl acetate 12.23
    1,2,4-trichlorobenzene 18.25
    4-methylpyridine 26.25
    dibutyl ether 2.64
    2,6-dimethyl-4-heptanol 2.52
    DEF 34.91
    dimethyl isosorbide 40.99
    tetrachloroethylene 31.31
    eugenol 20.03
    triacetin 21.24
    span 80 14.42
    1,4-butanediol 5.85
    1,1-dichloroethane 18.91
    2-methyl-1-pentanol 5.78
    methyl formate 37.55
    2-methyl-1-butanol 7.04
    n-decane 0.18
    butyronitrile 9.83
    3,7-dimethyl-1-octanol 2.96
    1-chlorooctane 1.23
    1-chlorotetradecane 0.73
    n-nonane 0.14
    undecane 0.15
    tert-butylcyclohexane 0.29
    cyclooctane 0.14
    cyclopentanol 14.93
    tetrahydropyran 13.25
    tert-amyl methyl ether 6.1
    2,5,8-trioxanonane 30.13
    1-hexene 1.05
    2-isopropoxyethanol 14.66
    2,2,2-trifluoroethanol 40.26
    methyl butyrate 21.69

    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