Cyclomorusin

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  • Identifiers

    CAS number
    62596-34-3

    Molecular formula
    C25H22O6

    SMILES
    CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.04%
    Spicy 36.4%
    Sweet 33.6%
    Herbal 28.59%
    Woody 26.81%
    Fruity 26.13%
    Odorless 24.36%
    Mint 23.57%
    Dry 21.64%
    Medicinal 21.47%

     

    Flavor
    Bitter 95.24%
    Cedarleaf 19.44%
    Parsley 18.8%
    Lovage 18.8%
    Ripe apricot 17.88%
    Red fruit 17.72%
    Bland 17.35%
    Sweet-like 17.3%
    Nitrile 17.25%
    Very strong 17.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    9.49 (weak base)

    Molecular weight
    418.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1373°C

    Melting point expt.

    • 256 - 257 °C

    Flash point

    • 253.24 ˚C est.

  • Synonyms

    • Cyclomorusin
    • 62596-34-3
    • Cyclomulberrochromene
    • Cyclomorusin A
    • 11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
    • CHEBI:132868
    • 6,11-dihydroxy-3,3-dimethyl-8-(2-methylprop-1-en-1-yl)-3H,7H,8H-chromeno[4,3-b]pyrano[2,3-h]chromen-7-one
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 9CI
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-propenyl)-3H,8H-bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one
    • 11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo(12.8.0.03,12.04,9.017,22)docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one, 9ci
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-propenyl)-3H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one
    • 6,11-dihydroxy-3,3-dimethyl-8-(2-methylprop-1-en-1-yl)-3H,7H,8H-chromeno(4,3-b)pyrano(2,3-h)chromen-7-one
    • RefChem:129781
    • CHEMBL1770313
    • Cycolmorusin, 2
    • orb1682862
    • SCHEMBL27013609
    • SCHEMBL29934917
    • DTXSID30978167
    • MCA59634
    • BDBM50343137
    • LMPK12110913
    • AKOS032948896
    • FS-9284
    • DA-72478
    • C17867
    • D85109
    • B0005-458158
    • 11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{17,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
    • 6,11-Dihydroxy-3,3-dimethyl-8-(2-methylprop-1-en-1-yl)-3H,7H,8H-[1]benzopyrano[4,3-b]pyrano[2,3-h][1]benzopyran-7-one
    • 62596-34-3

  • Applications

    Cyclomorusin (CAS 62596-34-3) may be used as an intermediate in organic synthesis for industrial and pharmaceutical manufacturing; it can function as a solvent or co-solvent in manufacturing processes; it may act as a stabilizer or processing aid in polymers/plastics; it can serve as an odorant or fixative in perfumery and cosmetics; it is explored for use in coatings and inks as a solvent component; and may be used in household cleaning products as a fragrance carrier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.84
    methanol 2.62
    isopropanol 1.35
    water 0.01
    ethyl acetate 7.04
    n-propanol 2.52
    acetone 11.88
    n-butanol 1.82
    acetonitrile 6.23
    DMF 61.55
    toluene 1.86
    isobutanol 1.98
    1,4-dioxane 16.87
    methyl acetate 12.43
    THF 33.52
    2-butanone 13.01
    n-pentanol 1.95
    sec-butanol 1.57
    n-hexane 0.04
    ethylene glycol 3.49
    NMP 108.19
    cyclohexane 0.08
    DMSO 61.88
    n-butyl acetate 9.56
    n-octanol 2.34
    chloroform 22.42
    n-propyl acetate 8.14
    acetic acid 24.22
    dichloromethane 17.03
    cyclohexanone 22.32
    propylene glycol 5.72
    isopropyl acetate 5.51
    DMAc 91.5
    2-ethoxyethanol 12.81
    isopentanol 1.93
    n-heptane 0.06
    ethyl formate 7.91
    1,2-dichloroethane 9.69
    n-hexanol 1.51
    2-methoxyethanol 24.41
    isobutyl acetate 7.27
    tetrachloromethane 0.84
    n-pentyl acetate 8.85
    transcutol 99.18
    n-heptanol 2.04
    ethylbenzene 0.91
    MIBK 5.44
    2-propoxyethanol 24.11
    tert-butanol 1.79
    MTBE 1.7
    2-butoxyethanol 15.28
    propionic acid 11.84
    o-xylene 1.2
    formic acid 10.7
    diethyl ether 1.35
    m-xylene 1.24
    p-xylene 1.72
    chlorobenzene 4.62
    dimethyl carbonate 17.47
    n-octane 0.04
    formamide 14.39
    cyclopentanone 43.92
    2-pentanone 7.29
    anisole 5.28
    cyclopentyl methyl ether 6.66
    gamma-butyrolactone 64.14
    1-methoxy-2-propanol 18.71
    pyridine 19.66
    3-pentanone 6.58
    furfural 51.18
    n-dodecane 0.09
    diethylene glycol 24.52
    diisopropyl ether 0.52
    tert-amyl alcohol 1.81
    acetylacetone 18.61
    n-hexadecane 0.11
    acetophenone 11.64
    methyl propionate 13.62
    isopentyl acetate 10.59
    trichloroethylene 42.08
    n-nonanol 2.7
    cyclohexanol 2.39
    benzyl alcohol 7.26
    2-ethylhexanol 1.66
    isooctanol 2.11
    dipropyl ether 2.38
    1,2-dichlorobenzene 5.54
    ethyl lactate 11.81
    propylene carbonate 26.82
    n-methylformamide 20.99
    2-pentanol 0.97
    n-pentane 0.03
    1-propoxy-2-propanol 18.46
    1-methoxy-2-propyl acetate 24.89
    2-(2-methoxypropoxy) propanol 28.95
    mesitylene 0.68
    ε-caprolactone 26.11
    p-cymene 1.29
    epichlorohydrin 59.64
    1,1,1-trichloroethane 6.75
    2-aminoethanol 5.06
    morpholine-4-carbaldehyde 87.18
    sulfolane 111.24
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 10.49
    n-hexyl acetate 10.36
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 32.31
    sec-butyl acetate 5.36
    tert-butyl acetate 6.76
    decalin 0.1
    glycerin 18.13
    diglyme 54.83
    acrylic acid 19.64
    isopropyl myristate 4.72
    n-butyric acid 10.26
    acetyl acetate 9.04
    di(2-ethylhexyl) phthalate 9.44
    ethyl propionate 7.35
    nitromethane 61.88
    1,2-diethoxyethane 12.93
    benzonitrile 9.8
    trioctyl phosphate 5.51
    1-bromopropane 2.12
    gamma-valerolactone 96.65
    n-decanol 1.97
    triethyl phosphate 7.41
    4-methyl-2-pentanol 1.03
    propionitrile 5.37
    vinylene carbonate 29.67
    1,1,2-trichlorotrifluoroethane 75.45
    DMS 23.57
    cumene 0.77
    2-octanol 1.35
    2-hexanone 7.44
    octyl acetate 6.51
    limonene 1.38
    1,2-dimethoxyethane 22.08
    ethyl orthosilicate 5.51
    tributyl phosphate 7.41
    diacetone alcohol 13.76
    N,N-dimethylaniline 4.47
    acrylonitrile 12.71
    aniline 5.56
    1,3-propanediol 6.26
    bromobenzene 4.14
    dibromomethane 6.17
    1,1,2,2-tetrachloroethane 31.0
    2-methyl-cyclohexyl acetate 9.63
    tetrabutyl urea 11.61
    diisobutyl methanol 1.41
    2-phenylethanol 7.81
    styrene 1.31
    dioctyl adipate 11.58
    dimethyl sulfate 42.71
    ethyl butyrate 8.09
    methyl lactate 23.54
    butyl lactate 14.79
    diethyl carbonate 6.92
    propanediol butyl ether 19.35
    triethyl orthoformate 8.36
    p-tert-butyltoluene 1.23
    methyl 4-tert-butylbenzoate 16.83
    morpholine 23.13
    tert-butylamine 0.57
    n-dodecanol 1.46
    dimethoxymethane 25.22
    ethylene carbonate 19.48
    cyrene 34.18
    2-ethoxyethyl acetate 21.82
    2-ethylhexyl acetate 8.04
    1,2,4-trichlorobenzene 12.25
    4-methylpyridine 14.56
    dibutyl ether 2.87
    2,6-dimethyl-4-heptanol 1.41
    DEF 15.22
    dimethyl isosorbide 53.16
    tetrachloroethylene 11.28
    eugenol 18.28
    triacetin 29.02
    span 80 19.53
    1,4-butanediol 2.82
    1,1-dichloroethane 6.25
    2-methyl-1-pentanol 2.07
    methyl formate 21.34
    2-methyl-1-butanol 1.99
    n-decane 0.12
    butyronitrile 3.68
    3,7-dimethyl-1-octanol 2.78
    1-chlorooctane 0.91
    1-chlorotetradecane 0.51
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.09
    cyclooctane 0.03
    cyclopentanol 4.79
    tetrahydropyran 6.16
    tert-amyl methyl ether 1.82
    2,5,8-trioxanonane 42.26
    1-hexene 0.28
    2-isopropoxyethanol 9.49
    2,2,2-trifluoroethanol 9.99
    methyl butyrate 10.34

    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