Cyclocommunol

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  • Identifiers

    CAS number
    145643-96-5

    Molecular formula
    C20H16O6

    SMILES
    CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC(=CC(=C4C2=O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 51.04%
    Odorless 40.35%
    Spicy 32.48%
    Burnt 26.79%
    Medicinal 24.71%
    Smoky 23.58%
    Woody 22.95%
    Bitter 22.08%
    Sweet 21.81%
    Animal 20.93%

     

    Flavor
    Bitter 96.3%
    Cedarleaf 19.81%
    Lovage 19.09%
    Odorless 18.92%
    Parsley 18.9%
    Bland 18.42%
    Nitrile 18.26%
    Sweet-like 18.23%
    Ripe apricot 17.97%
    Very strong 17.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.15 (weak base)

    Molecular weight
    352.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    947°C

    Melting point expt.

    • 160 - 162 °C

    Flash point

    • 268.43 ˚C est.

  • Synonyms

    • Cyclocommunol
    • 145643-96-5
    • 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
    • 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b]benzopyran-7-one, 9CI
    • 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno(4,3-b)chromen-7-one
    • 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-(1)benzopyrano(4,3-b)benzopyran-7-one, 9ci
    • RefChem:129429
    • CHEMBL4164003
    • 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
    • 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-
    • orb1682866
    • SCHEMBL7694675
    • SCHEMBL29711335
    • CHEBI:175506
    • DTXSID801317731
    • HY-N3665
    • VFA64396
    • BDBM50291297
    • LMPK12110937
    • MFCD20731040
    • AKOS040761555
    • FS-7738
    • DA-62588
    • H63072
    • 3,8,10-Trihydroxy-6-(2-methylprop-1-en-1-yl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
    • 145643-96-5

  • Applications

    Cyclocommunol (CAS 145643-96-5) is used as an intermediate in organic synthesis and may serve as a solvent or processing aid in various polymer, coatings, and ink systems. It is also considered a fragrance and cosmetic ingredient with functions as a fixative or solvent in personal care formulations and perfumery. It may be used in household cleaning products as a solvent or processing additive. In the plastics and polymer field, Cyclocommunol can act as a stabilizer or plasticizer depending on formulation and processing conditions. These applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.88
    methanol 2.45
    isopropanol 2.05
    water 0.02
    ethyl acetate 3.56
    n-propanol 2.81
    acetone 8.04
    n-butanol 2.15
    acetonitrile 5.16
    DMF 113.98
    toluene 0.47
    isobutanol 2.3
    1,4-dioxane 12.35
    methyl acetate 8.51
    THF 34.85
    2-butanone 9.61
    n-pentanol 2.39
    sec-butanol 2.04
    n-hexane 0.02
    ethylene glycol 14.9
    NMP 135.22
    cyclohexane 0.03
    DMSO 249.42
    n-butyl acetate 7.38
    n-octanol 2.45
    chloroform 2.15
    n-propyl acetate 6.79
    acetic acid 28.64
    dichloromethane 1.69
    cyclohexanone 16.63
    propylene glycol 25.12
    isopropyl acetate 3.52
    DMAc 120.58
    2-ethoxyethanol 23.86
    isopentanol 2.43
    n-heptane 0.03
    ethyl formate 5.93
    1,2-dichloroethane 2.0
    n-hexanol 1.66
    2-methoxyethanol 58.77
    isobutyl acetate 5.92
    tetrachloromethane 0.19
    n-pentyl acetate 6.63
    transcutol 186.79
    n-heptanol 2.35
    ethylbenzene 0.35
    MIBK 4.3
    2-propoxyethanol 36.72
    tert-butanol 3.29
    MTBE 1.21
    2-butoxyethanol 21.35
    propionic acid 15.26
    o-xylene 0.47
    formic acid 19.21
    diethyl ether 0.63
    m-xylene 0.48
    p-xylene 0.65
    chlorobenzene 1.1
    dimethyl carbonate 14.25
    n-octane 0.02
    formamide 28.71
    cyclopentanone 40.27
    2-pentanone 4.97
    anisole 2.86
    cyclopentyl methyl ether 4.63
    gamma-butyrolactone 66.49
    1-methoxy-2-propanol 49.73
    pyridine 9.14
    3-pentanone 4.01
    furfural 47.31
    n-dodecane 0.06
    diethylene glycol 60.43
    diisopropyl ether 0.32
    tert-amyl alcohol 2.78
    acetylacetone 15.02
    n-hexadecane 0.07
    acetophenone 8.46
    methyl propionate 9.83
    isopentyl acetate 8.1
    trichloroethylene 7.24
    n-nonanol 2.81
    cyclohexanol 2.76
    benzyl alcohol 6.73
    2-ethylhexanol 1.68
    isooctanol 2.45
    dipropyl ether 1.72
    1,2-dichlorobenzene 1.46
    ethyl lactate 18.39
    propylene carbonate 26.78
    n-methylformamide 33.91
    2-pentanol 1.22
    n-pentane 0.01
    1-propoxy-2-propanol 30.66
    1-methoxy-2-propyl acetate 25.99
    2-(2-methoxypropoxy) propanol 40.77
    mesitylene 0.32
    ε-caprolactone 22.82
    p-cymene 0.77
    epichlorohydrin 40.5
    1,1,1-trichloroethane 1.47
    2-aminoethanol 14.32
    morpholine-4-carbaldehyde 112.74
    sulfolane 165.62
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 7.64
    n-hexyl acetate 8.05
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 50.85
    sec-butyl acetate 4.15
    tert-butyl acetate 5.84
    decalin 0.05
    glycerin 89.35
    diglyme 75.67
    acrylic acid 26.38
    isopropyl myristate 3.95
    n-butyric acid 11.68
    acetyl acetate 4.6
    di(2-ethylhexyl) phthalate 8.66
    ethyl propionate 5.43
    nitromethane 71.48
    1,2-diethoxyethane 12.14
    benzonitrile 6.72
    trioctyl phosphate 5.9
    1-bromopropane 0.48
    gamma-valerolactone 99.45
    n-decanol 2.21
    triethyl phosphate 6.57
    4-methyl-2-pentanol 1.29
    propionitrile 4.41
    vinylene carbonate 22.41
    1,1,2-trichlorotrifluoroethane 82.68
    DMS 18.98
    cumene 0.37
    2-octanol 1.52
    2-hexanone 6.21
    octyl acetate 5.78
    limonene 0.89
    1,2-dimethoxyethane 28.33
    ethyl orthosilicate 4.96
    tributyl phosphate 7.8
    diacetone alcohol 22.93
    N,N-dimethylaniline 2.98
    acrylonitrile 11.78
    aniline 3.1
    1,3-propanediol 16.14
    bromobenzene 0.73
    dibromomethane 0.77
    1,1,2,2-tetrachloroethane 7.19
    2-methyl-cyclohexyl acetate 8.12
    tetrabutyl urea 12.49
    diisobutyl methanol 1.58
    2-phenylethanol 6.72
    styrene 0.44
    dioctyl adipate 10.26
    dimethyl sulfate 45.51
    ethyl butyrate 6.17
    methyl lactate 42.44
    butyl lactate 18.91
    diethyl carbonate 5.56
    propanediol butyl ether 38.09
    triethyl orthoformate 7.75
    p-tert-butyltoluene 0.81
    methyl 4-tert-butylbenzoate 16.02
    morpholine 23.81
    tert-butylamine 0.73
    n-dodecanol 1.71
    dimethoxymethane 27.94
    ethylene carbonate 16.12
    cyrene 46.33
    2-ethoxyethyl acetate 18.12
    2-ethylhexyl acetate 6.02
    1,2,4-trichlorobenzene 3.51
    4-methylpyridine 7.02
    dibutyl ether 2.2
    2,6-dimethyl-4-heptanol 1.58
    DEF 14.06
    dimethyl isosorbide 64.11
    tetrachloroethylene 2.38
    eugenol 20.82
    triacetin 27.2
    span 80 27.3
    1,4-butanediol 8.13
    1,1-dichloroethane 1.19
    2-methyl-1-pentanol 2.56
    methyl formate 25.55
    2-methyl-1-butanol 2.3
    n-decane 0.08
    butyronitrile 2.95
    3,7-dimethyl-1-octanol 3.07
    1-chlorooctane 0.48
    1-chlorotetradecane 0.33
    n-nonane 0.05
    undecane 0.07
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 6.32
    tetrahydropyran 3.43
    tert-amyl methyl ether 1.41
    2,5,8-trioxanonane 61.65
    1-hexene 0.12
    2-isopropoxyethanol 16.11
    2,2,2-trifluoroethanol 13.91
    methyl butyrate 8.68

    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