Armillyl everninate

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  • Identifiers

    CAS number
    102092-44-4

    Molecular formula
    C24H32O6

    SMILES
    CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)C)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 41.78%
    Woody 39.24%
    Sweet 39.21%
    Balsamic 35.36%
    Fresh 28.35%
    Spicy 28.19%
    Powdery 26.61%
    Amber 26.23%
    Dry 25.62%
    Musk 25.39%

     

    Flavor
    Bitter 87.1%
    Bland 28.74%
    Odorless 26.92%
    Sweet-like 21.85%
    Cedarleaf 21.33%
    Parsley 20.7%
    Ripe apricot 20.06%
    Red fruit 19.74%
    Lovage 19.6%
    Heather 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.94 (neutral)

    Molecular weight
    416.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    979°C

    Flash point

    • 220.78 ˚C est.

  • Synonyms

    • Armillol everninate
    • 102092-44-4
    • Armillyl everninate
    • (2r,4s,4ar,7as,7br)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1h-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
    • SCHEMBL29934937
    • DTXSID20144632
    • CHEBI:191846
    • [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
    • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2alpha,4alpha,4aalpha,7aalpha,7bbeta)]-
    • 102092-44-4

  • Applications

    Armillyl everninate is primarily encountered in perfumery as a fragrance odorant and may function as a fixative, helping to stabilize complex scent blends. It is commonly evaluated for use in cosmetics and personal care formulations as a fragrance ingredient, and may be incorporated into household products such as air fresheners and cleaners to impart aroma. In industrial manufacturing, it can be used as an aroma chemical intermediate to enable the synthesis of related fragrance ingredients. It may also be used in coatings and inks as an odorant additive to impart fragrance. Use must comply with local regulations and formulation limits. CAS 102092-44-4.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.22
    methanol 26.35
    isopropanol 13.65
    water 0.03
    ethyl acetate 12.49
    n-propanol 19.24
    acetone 29.82
    n-butanol 16.22
    acetonitrile 12.13
    DMF 64.04
    toluene 3.8
    isobutanol 11.64
    1,4-dioxane 21.25
    methyl acetate 13.54
    THF 86.46
    2-butanone 25.34
    n-pentanol 10.8
    sec-butanol 9.25
    n-hexane 0.17
    ethylene glycol 6.71
    NMP 44.07
    cyclohexane 0.21
    DMSO 110.18
    n-butyl acetate 10.31
    n-octanol 5.8
    chloroform 46.35
    n-propyl acetate 9.4
    acetic acid 28.88
    dichloromethane 30.91
    cyclohexanone 31.45
    propylene glycol 10.24
    isopropyl acetate 9.4
    DMAc 58.19
    2-ethoxyethanol 27.55
    isopentanol 12.29
    n-heptane 0.18
    ethyl formate 11.49
    1,2-dichloroethane 17.3
    n-hexanol 11.59
    2-methoxyethanol 51.89
    isobutyl acetate 7.14
    tetrachloromethane 3.52
    n-pentyl acetate 12.13
    transcutol 33.01
    n-heptanol 8.6
    ethylbenzene 1.85
    MIBK 14.21
    2-propoxyethanol 42.31
    tert-butanol 11.61
    MTBE 5.26
    2-butoxyethanol 27.54
    propionic acid 13.83
    o-xylene 2.11
    formic acid 17.61
    diethyl ether 6.88
    m-xylene 2.79
    p-xylene 2.39
    chlorobenzene 7.04
    dimethyl carbonate 12.42
    n-octane 0.1
    formamide 21.75
    cyclopentanone 57.34
    2-pentanone 21.44
    anisole 7.09
    cyclopentyl methyl ether 12.71
    gamma-butyrolactone 50.36
    1-methoxy-2-propanol 45.17
    pyridine 18.86
    3-pentanone 12.6
    furfural 35.85
    n-dodecane 0.09
    diethylene glycol 33.76
    diisopropyl ether 1.48
    tert-amyl alcohol 8.88
    acetylacetone 23.89
    n-hexadecane 0.1
    acetophenone 10.99
    methyl propionate 15.07
    isopentyl acetate 10.98
    trichloroethylene 45.09
    n-nonanol 6.12
    cyclohexanol 7.68
    benzyl alcohol 11.32
    2-ethylhexanol 5.17
    isooctanol 6.61
    dipropyl ether 3.83
    1,2-dichlorobenzene 7.28
    ethyl lactate 11.67
    propylene carbonate 20.56
    n-methylformamide 32.61
    2-pentanol 6.64
    n-pentane 0.19
    1-propoxy-2-propanol 24.83
    1-methoxy-2-propyl acetate 20.69
    2-(2-methoxypropoxy) propanol 19.6
    mesitylene 1.44
    ε-caprolactone 23.99
    p-cymene 1.84
    epichlorohydrin 69.08
    1,1,1-trichloroethane 13.34
    2-aminoethanol 15.09
    morpholine-4-carbaldehyde 43.27
    sulfolane 72.87
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 20.39
    n-hexyl acetate 13.73
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 24.42
    sec-butyl acetate 5.58
    tert-butyl acetate 10.6
    decalin 0.19
    glycerin 20.97
    diglyme 38.86
    acrylic acid 15.81
    isopropyl myristate 3.83
    n-butyric acid 21.07
    acetyl acetate 9.93
    di(2-ethylhexyl) phthalate 8.22
    ethyl propionate 8.64
    nitromethane 49.95
    1,2-diethoxyethane 8.1
    benzonitrile 10.43
    trioctyl phosphate 6.25
    1-bromopropane 6.99
    gamma-valerolactone 70.13
    n-decanol 3.61
    triethyl phosphate 5.32
    4-methyl-2-pentanol 5.2
    propionitrile 12.31
    vinylene carbonate 20.31
    1,1,2-trichlorotrifluoroethane 54.01
    DMS 10.56
    cumene 1.45
    2-octanol 4.2
    2-hexanone 13.13
    octyl acetate 6.4
    limonene 2.26
    1,2-dimethoxyethane 30.32
    ethyl orthosilicate 4.67
    tributyl phosphate 5.68
    diacetone alcohol 24.33
    N,N-dimethylaniline 4.91
    acrylonitrile 18.68
    aniline 7.94
    1,3-propanediol 26.04
    bromobenzene 6.19
    dibromomethane 16.22
    1,1,2,2-tetrachloroethane 33.39
    2-methyl-cyclohexyl acetate 8.52
    tetrabutyl urea 8.78
    diisobutyl methanol 2.63
    2-phenylethanol 14.5
    styrene 1.98
    dioctyl adipate 7.69
    dimethyl sulfate 25.53
    ethyl butyrate 7.19
    methyl lactate 19.83
    butyl lactate 15.5
    diethyl carbonate 5.06
    propanediol butyl ether 20.93
    triethyl orthoformate 6.04
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 16.58
    morpholine 32.29
    tert-butylamine 3.35
    n-dodecanol 2.06
    dimethoxymethane 43.58
    ethylene carbonate 16.53
    cyrene 26.83
    2-ethoxyethyl acetate 19.42
    2-ethylhexyl acetate 7.77
    1,2,4-trichlorobenzene 10.63
    4-methylpyridine 15.57
    dibutyl ether 2.68
    2,6-dimethyl-4-heptanol 2.63
    DEF 17.32
    dimethyl isosorbide 31.09
    tetrachloroethylene 18.82
    eugenol 19.05
    triacetin 15.61
    span 80 16.95
    1,4-butanediol 10.44
    1,1-dichloroethane 13.61
    2-methyl-1-pentanol 8.46
    methyl formate 23.4
    2-methyl-1-butanol 10.99
    n-decane 0.19
    butyronitrile 12.28
    3,7-dimethyl-1-octanol 4.95
    1-chlorooctane 1.76
    1-chlorotetradecane 0.5
    n-nonane 0.15
    undecane 0.13
    tert-butylcyclohexane 0.19
    cyclooctane 0.09
    cyclopentanol 12.58
    tetrahydropyran 14.05
    tert-amyl methyl ether 4.79
    2,5,8-trioxanonane 25.22
    1-hexene 1.09
    2-isopropoxyethanol 17.14
    2,2,2-trifluoroethanol 13.98
    methyl butyrate 11.82

    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