Thamnosin

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  • Identifiers

    CAS number
    18458-66-7

    Molecular formula
    C30H28O6

    SMILES
    CC1=CC(C(CC1)(C)/C=C/C2=C(C=C3C(=C2)C=CC(=O)O3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 37.32%
    Sweet 35.02%
    Floral 32.93%
    Spicy 30.64%
    Powdery 30.36%
    Woody 26.5%
    Dry 24.84%
    Animal 24.19%
    Fatty 24.11%
    Musk 23.55%

     

    Flavor
    Bitter 85.68%
    Parsley 19.98%
    Cedarleaf 19.64%
    Lovage 19.62%
    Ripe apricot 18.65%
    Heather 18.61%
    Broom 18.36%
    Nitrile 18.34%
    Red fruit 18.33%
    Genet 18.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.68 (neutral)

    Molecular weight
    484.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1054°C

    Melting point expt.

    • 244 - 246 °C

    Flash point

    • 259.36 ˚C est.

  • Synonyms

    • Thamnosin
    • Cyclobisuberodiene
    • 18458-66-7
    • 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one
    • 7-Methoxy-6-[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1,4-dimethyl-3-cyclohexen-1-yl]vinyl]-2H-1-
    • 2H-1-Benzopyran-2-one, 7-methoxy-6-[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1,4-dimethyl-3-cyclohexen-1-yl]ethenyl]-
    • Coumarin, 6,6'-[(1,4-dimethyl-3-cyclohexen-1,2-ylene)vinylene]bis[7-methoxy-, (E)-
    • SCHEMBL29801586
    • CHEBI:178188
    • SWGAQLQAABDHGT-ZRDIBKRKSA-N
    • Coumarin, 6,6'-[(1,4-dimethyl-3-cyclohexen-1,2-ylene)vinylene]bis*7-methoxy-, (E)-
    • 7-Methoxy-6-(6-[(E)-2-(7-methoxy-2-oxo-2H-chromen-6-yl)ethenyl]-3,6-dimethyl-2-cyclohexen-1-yl)-2H-chromen-2-one #
    • 7-Methoxy-6-[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1,4-dimethyl-3-cyclohexen-1-yl]ethenyl]-2H-1-benzopyran-2-one, 9CI
    • 7-methoxy-6-{6-[(E)-2-(7-methoxy-2-oxo-2H-chromen-6-yl)ethenyl]-3,6-dimethylcyclohex-2-en-1-yl}-2H-chromen-2-one
    • 18458-66-7

  • Applications

    Thamnosin, CAS 18458-66-7, is considered a compound with potential applications across industrial and consumer formulations, with typical uses including: as a fragrance ingredient/odorant in perfumery and personal care; used as a solvent or co-solvent in cleaning formulations and household products; serving as a chemical intermediate in organic synthesis; as an additive or solvent for coatings and inks; may be evaluated for applications in polymer processing or plastic systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.35
    methanol 0.37
    isopropanol 0.27
    water 0.0
    ethyl acetate 0.76
    n-propanol 0.54
    acetone 1.22
    n-butanol 0.44
    acetonitrile 0.33
    DMF 2.74
    toluene 1.0
    isobutanol 0.38
    1,4-dioxane 3.65
    methyl acetate 1.26
    THF 6.88
    2-butanone 2.49
    n-pentanol 0.45
    sec-butanol 0.43
    n-hexane 0.02
    ethylene glycol 0.08
    NMP 3.37
    cyclohexane 0.02
    DMSO 2.54
    n-butyl acetate 0.62
    n-octanol 0.22
    chloroform 16.39
    n-propyl acetate 0.74
    acetic acid 1.38
    dichloromethane 12.22
    cyclohexanone 3.05
    propylene glycol 0.17
    isopropyl acetate 0.61
    DMAc 8.3
    2-ethoxyethanol 1.47
    isopentanol 0.43
    n-heptane 0.02
    ethyl formate 0.59
    1,2-dichloroethane 3.73
    n-hexanol 0.28
    2-methoxyethanol 1.62
    isobutyl acetate 0.62
    tetrachloromethane 0.37
    n-pentyl acetate 0.95
    transcutol 5.23
    n-heptanol 0.31
    ethylbenzene 0.36
    MIBK 0.72
    2-propoxyethanol 2.11
    tert-butanol 0.28
    MTBE 0.55
    2-butoxyethanol 1.59
    propionic acid 0.8
    o-xylene 0.43
    formic acid 0.49
    diethyl ether 0.59
    m-xylene 0.39
    p-xylene 0.51
    chlorobenzene 1.18
    dimethyl carbonate 0.82
    n-octane 0.01
    formamide 0.66
    cyclopentanone 3.8
    2-pentanone 1.14
    anisole 1.25
    cyclopentyl methyl ether 1.11
    gamma-butyrolactone 2.99
    1-methoxy-2-propanol 1.44
    pyridine 5.82
    3-pentanone 1.21
    furfural 3.29
    n-dodecane 0.01
    diethylene glycol 0.88
    diisopropyl ether 0.12
    tert-amyl alcohol 0.43
    acetylacetone 1.66
    n-hexadecane 0.01
    acetophenone 1.5
    methyl propionate 1.13
    isopentyl acetate 0.8
    trichloroethylene 16.18
    n-nonanol 0.32
    cyclohexanol 0.45
    benzyl alcohol 1.1
    2-ethylhexanol 0.26
    isooctanol 0.33
    dipropyl ether 0.48
    1,2-dichlorobenzene 1.13
    ethyl lactate 0.53
    propylene carbonate 0.96
    n-methylformamide 0.91
    2-pentanol 0.25
    n-pentane 0.01
    1-propoxy-2-propanol 1.25
    1-methoxy-2-propyl acetate 1.51
    2-(2-methoxypropoxy) propanol 2.27
    mesitylene 0.16
    ε-caprolactone 2.38
    p-cymene 0.21
    epichlorohydrin 8.55
    1,1,1-trichloroethane 1.67
    2-aminoethanol 0.23
    morpholine-4-carbaldehyde 5.08
    sulfolane 4.17
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.88
    n-hexyl acetate 0.93
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.25
    sec-butyl acetate 0.58
    tert-butyl acetate 0.76
    decalin 0.02
    glycerin 0.43
    diglyme 5.46
    acrylic acid 0.95
    isopropyl myristate 0.4
    n-butyric acid 0.94
    acetyl acetate 0.7
    di(2-ethylhexyl) phthalate 0.72
    ethyl propionate 0.68
    nitromethane 2.59
    1,2-diethoxyethane 1.57
    benzonitrile 0.78
    trioctyl phosphate 0.34
    1-bromopropane 1.05
    gamma-valerolactone 7.77
    n-decanol 0.2
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.19
    propionitrile 0.54
    vinylene carbonate 1.33
    1,1,2-trichlorotrifluoroethane 7.31
    DMS 1.17
    cumene 0.22
    2-octanol 0.18
    2-hexanone 1.16
    octyl acetate 0.5
    limonene 0.22
    1,2-dimethoxyethane 3.47
    ethyl orthosilicate 0.57
    tributyl phosphate 0.41
    diacetone alcohol 1.2
    N,N-dimethylaniline 0.84
    acrylonitrile 0.87
    aniline 1.15
    1,3-propanediol 0.48
    bromobenzene 1.37
    dibromomethane 4.52
    1,1,2,2-tetrachloroethane 10.97
    2-methyl-cyclohexyl acetate 0.92
    tetrabutyl urea 0.79
    diisobutyl methanol 0.18
    2-phenylethanol 1.06
    styrene 0.44
    dioctyl adipate 0.89
    dimethyl sulfate 1.51
    ethyl butyrate 0.61
    methyl lactate 0.72
    butyl lactate 0.82
    diethyl carbonate 0.44
    propanediol butyl ether 0.96
    triethyl orthoformate 0.81
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 1.7
    morpholine 4.0
    tert-butylamine 0.12
    n-dodecanol 0.13
    dimethoxymethane 2.32
    ethylene carbonate 0.94
    cyrene 2.25
    2-ethoxyethyl acetate 2.16
    2-ethylhexyl acetate 0.67
    1,2,4-trichlorobenzene 2.42
    4-methylpyridine 2.61
    dibutyl ether 0.42
    2,6-dimethyl-4-heptanol 0.18
    DEF 1.74
    dimethyl isosorbide 3.76
    tetrachloroethylene 5.04
    eugenol 1.77
    triacetin 1.56
    span 80 1.38
    1,4-butanediol 0.2
    1,1-dichloroethane 1.93
    2-methyl-1-pentanol 0.54
    methyl formate 0.82
    2-methyl-1-butanol 0.5
    n-decane 0.02
    butyronitrile 0.45
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.14
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.53
    tetrahydropyran 2.09
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 3.62
    1-hexene 0.13
    2-isopropoxyethanol 1.15
    2,2,2-trifluoroethanol 0.42
    methyl butyrate 0.9

    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