Cycloabyssinone

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  • Identifiers

    CAS number
    190206-62-3

    Molecular formula
    C30H48O

    SMILES
    C[C@@H]1[C@@H]2CC[C@H]3[C@@]4(CC[C@@H]([C@]4(CC[C@@]35[C@@]2(C5)CCC1=O)C)[C@H](C)CCC(=C)C(C)C)C

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  • Odor profile

    Fragrance
    Woody 89.06%
    Amber 49.05%
    Sandalwood 48.52%
    Dry 44.93%
    Cedar 42.83%
    Vetiver 40.76%
    Balsamic 35.07%
    Waxy 33.07%
    Spicy 32.04%
    Animal 30.71%

     

    Flavor
    Woody 56.89%
    Wood 38.16%
    Herbal 31.67%
    Herb 30.25%
    Spice 29.73%
    Fir needle 23.43%
    Pine 22.53%
    Turpentine 22.1%
    Sandalwood 22.01%
    Cedarleaf 21.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    8.49 (weak base)

    Molecular weight
    424.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    514°C

    Flash point

    • 154.83 ˚C est.

  • Synonyms

    • Cycloabyssinone
    • RefChem:919366
    • 190206-62-3
    • CHEMBL427441
    • 190206-62-3

  • Applications

    Cycloabyssinone (CAS 190206-62-3) is primarily used as an aromatic ketone intermediate in fragrance chemistry; it can function as an odorant or fragrance ingredient in perfumery and cosmetics; it is evaluated for use in coatings and inks as a specialty additive; it serves as a reactive building block in organic synthesis for downstream pharmaceutical or agrochemical intermediates; it may be incorporated into household cleaning formulations as a fragrance component; it also finds utility as a precursor in polymer and plastics applications where a distinctive aromatic ketone motif is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.19
    methanol 3.65
    isopropanol 13.22
    water 0.04
    ethyl acetate 19.71
    n-propanol 13.23
    acetone 15.67
    n-butanol 16.41
    acetonitrile 5.55
    DMF 15.45
    toluene 27.42
    isobutanol 11.28
    1,4-dioxane 30.82
    methyl acetate 10.34
    THF 43.4
    2-butanone 17.4
    n-pentanol 9.41
    sec-butanol 7.93
    n-hexane 0.85
    ethylene glycol 0.96
    NMP 21.02
    cyclohexane 1.68
    DMSO 6.14
    n-butyl acetate 17.82
    n-octanol 5.3
    chloroform 41.21
    n-propyl acetate 13.07
    acetic acid 8.93
    dichloromethane 23.25
    cyclohexanone 30.79
    propylene glycol 2.03
    isopropyl acetate 28.16
    DMAc 26.16
    2-ethoxyethanol 16.59
    isopentanol 17.69
    n-heptane 0.93
    ethyl formate 5.79
    1,2-dichloroethane 15.22
    n-hexanol 12.12
    2-methoxyethanol 20.19
    isobutyl acetate 15.95
    tetrachloromethane 8.74
    n-pentyl acetate 20.2
    transcutol 70.92
    n-heptanol 9.65
    ethylbenzene 10.28
    MIBK 25.06
    2-propoxyethanol 38.78
    tert-butanol 12.29
    MTBE 15.15
    2-butoxyethanol 29.91
    propionic acid 7.41
    o-xylene 14.46
    formic acid 2.04
    diethyl ether 17.0
    m-xylene 19.94
    p-xylene 12.31
    chlorobenzene 20.31
    dimethyl carbonate 10.29
    n-octane 0.33
    formamide 3.41
    cyclopentanone 29.59
    2-pentanone 21.82
    anisole 24.03
    cyclopentyl methyl ether 21.45
    gamma-butyrolactone 24.31
    1-methoxy-2-propanol 28.36
    pyridine 29.69
    3-pentanone 17.24
    furfural 25.05
    n-dodecane 0.21
    diethylene glycol 15.82
    diisopropyl ether 9.06
    tert-amyl alcohol 8.07
    acetylacetone 33.87
    n-hexadecane 0.26
    acetophenone 20.71
    methyl propionate 15.84
    isopentyl acetate 27.62
    trichloroethylene 36.05
    n-nonanol 6.69
    cyclohexanol 11.23
    benzyl alcohol 15.29
    2-ethylhexanol 8.54
    isooctanol 9.49
    dipropyl ether 12.79
    1,2-dichlorobenzene 20.69
    ethyl lactate 8.63
    propylene carbonate 16.44
    n-methylformamide 5.96
    2-pentanol 10.54
    n-pentane 1.27
    1-propoxy-2-propanol 29.19
    1-methoxy-2-propyl acetate 44.55
    2-(2-methoxypropoxy) propanol 25.0
    mesitylene 12.1
    ε-caprolactone 28.1
    p-cymene 8.02
    epichlorohydrin 30.85
    1,1,1-trichloroethane 22.69
    2-aminoethanol 3.93
    morpholine-4-carbaldehyde 35.56
    sulfolane 21.78
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 21.16
    n-hexyl acetate 20.22
    isooctane 1.1
    2-(2-butoxyethoxy)ethanol 30.69
    sec-butyl acetate 14.58
    tert-butyl acetate 35.33
    decalin 1.38
    glycerin 4.24
    diglyme 58.7
    acrylic acid 6.05
    isopropyl myristate 8.5
    n-butyric acid 19.28
    acetyl acetate 19.65
    di(2-ethylhexyl) phthalate 12.56
    ethyl propionate 14.78
    nitromethane 11.84
    1,2-diethoxyethane 22.91
    benzonitrile 14.44
    trioctyl phosphate 7.0
    1-bromopropane 10.84
    gamma-valerolactone 59.29
    n-decanol 4.16
    triethyl phosphate 11.59
    4-methyl-2-pentanol 11.28
    propionitrile 10.02
    vinylene carbonate 17.9
    1,1,2-trichlorotrifluoroethane 21.71
    DMS 18.71
    cumene 7.35
    2-octanol 5.03
    2-hexanone 13.84
    octyl acetate 8.91
    limonene 8.16
    1,2-dimethoxyethane 27.91
    ethyl orthosilicate 13.24
    tributyl phosphate 7.32
    diacetone alcohol 27.37
    N,N-dimethylaniline 17.03
    acrylonitrile 9.74
    aniline 21.32
    1,3-propanediol 11.98
    bromobenzene 23.08
    dibromomethane 16.5
    1,1,2,2-tetrachloroethane 27.66
    2-methyl-cyclohexyl acetate 20.57
    tetrabutyl urea 10.35
    diisobutyl methanol 8.5
    2-phenylethanol 22.87
    styrene 10.86
    dioctyl adipate 13.74
    dimethyl sulfate 13.14
    ethyl butyrate 17.21
    methyl lactate 9.79
    butyl lactate 17.69
    diethyl carbonate 11.77
    propanediol butyl ether 16.29
    triethyl orthoformate 18.83
    p-tert-butyltoluene 8.33
    methyl 4-tert-butylbenzoate 32.65
    morpholine 30.96
    tert-butylamine 8.35
    n-dodecanol 2.63
    dimethoxymethane 27.1
    ethylene carbonate 15.47
    cyrene 21.68
    2-ethoxyethyl acetate 34.89
    2-ethylhexyl acetate 20.69
    1,2,4-trichlorobenzene 26.82
    4-methylpyridine 31.37
    dibutyl ether 6.96
    2,6-dimethyl-4-heptanol 8.5
    DEF 18.03
    dimethyl isosorbide 45.41
    tetrachloroethylene 20.28
    eugenol 29.41
    triacetin 28.3
    span 80 19.13
    1,4-butanediol 3.78
    1,1-dichloroethane 16.65
    2-methyl-1-pentanol 9.76
    methyl formate 3.99
    2-methyl-1-butanol 12.06
    n-decane 0.52
    butyronitrile 11.46
    3,7-dimethyl-1-octanol 7.5
    1-chlorooctane 3.06
    1-chlorotetradecane 0.96
    n-nonane 0.4
    undecane 0.31
    tert-butylcyclohexane 1.32
    cyclooctane 0.76
    cyclopentanol 8.08
    tetrahydropyran 25.3
    tert-amyl methyl ether 10.85
    2,5,8-trioxanonane 34.99
    1-hexene 3.45
    2-isopropoxyethanol 15.93
    2,2,2-trifluoroethanol 5.36
    methyl butyrate 14.22

    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