Armillarivin

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  • Identifiers

    CAS number
    135247-97-1

    Molecular formula
    C23H28O5

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.87%
    Woody 38.18%
    Spicy 29.69%
    Fresh 28.61%
    Balsamic 26.86%
    Dry 24.19%
    Amber 23.0%
    Herbal 22.09%
    Green 20.89%
    Mint 20.44%

     

    Flavor
    Bitter 86.36%
    Odorless 26.67%
    Bland 22.16%
    Cedarleaf 21.54%
    Heather 20.04%
    Lovage 19.96%
    Parsley 19.95%
    Sweet-like 19.91%
    Broom 19.57%
    Ripe apricot 19.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.82 (neutral)

    Molecular weight
    384.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    575°C

    Flash point

    • 215.62 ˚C est.

  • Synonyms

    • Armillarivin
    • DTXSID00159289
    • Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2alpha,2abeta,4aalpha,7aalpha,7bbeta)-(+)-
    • RefChem:114119
    • DTXCID3081780
    • 135247-97-1
    • [(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
    • CHEBI:175056
    • (2R,2aR,4aS,7aS,7bR)-3-Formyl-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
    • [(2R,2aR,4aS,7aS,7bR)-3-ormyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
    • 135247-97-1

  • Applications

    Armillarivin, CAS 135247-97-1, is a chemical with potential applications across several industries; typical use cases include as a fragrance ingredient and fixative in perfumery and personal care, as an odorant or functional ingredient in household and cleaning products, as an additive in coatings and inks, as a processing aid or stabilizer in polymers/plastics, and as an intermediate in organic synthesis within industrial manufacturing, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.29
    methanol 34.98
    isopropanol 27.25
    water 0.04
    ethyl acetate 33.28
    n-propanol 34.93
    acetone 62.73
    n-butanol 30.31
    acetonitrile 24.15
    DMF 126.4
    toluene 11.88
    isobutanol 23.78
    1,4-dioxane 40.04
    methyl acetate 34.47
    THF 196.96
    2-butanone 60.93
    n-pentanol 22.64
    sec-butanol 21.67
    n-hexane 0.42
    ethylene glycol 9.42
    NMP 104.57
    cyclohexane 0.46
    DMSO 144.0
    n-butyl acetate 26.45
    n-octanol 12.16
    chloroform 102.39
    n-propyl acetate 25.1
    acetic acid 49.77
    dichloromethane 65.81
    cyclohexanone 69.99
    propylene glycol 23.78
    isopropyl acetate 26.76
    DMAc 120.43
    2-ethoxyethanol 47.54
    isopentanol 24.81
    n-heptane 0.46
    ethyl formate 22.49
    1,2-dichloroethane 35.43
    n-hexanol 23.99
    2-methoxyethanol 86.76
    isobutyl acetate 20.97
    tetrachloromethane 6.14
    n-pentyl acetate 25.62
    transcutol 99.43
    n-heptanol 15.08
    ethylbenzene 5.01
    MIBK 35.49
    2-propoxyethanol 82.95
    tert-butanol 25.31
    MTBE 13.83
    2-butoxyethanol 44.23
    propionic acid 35.22
    o-xylene 6.39
    formic acid 23.93
    diethyl ether 15.11
    m-xylene 9.77
    p-xylene 6.83
    chlorobenzene 17.95
    dimethyl carbonate 30.95
    n-octane 0.23
    formamide 32.82
    cyclopentanone 120.0
    2-pentanone 51.08
    anisole 18.51
    cyclopentyl methyl ether 35.48
    gamma-butyrolactone 123.14
    1-methoxy-2-propanol 98.36
    pyridine 38.53
    3-pentanone 32.87
    furfural 72.16
    n-dodecane 0.23
    diethylene glycol 60.8
    diisopropyl ether 4.39
    tert-amyl alcohol 19.88
    acetylacetone 61.57
    n-hexadecane 0.28
    acetophenone 27.73
    methyl propionate 42.24
    isopentyl acetate 28.52
    trichloroethylene 94.93
    n-nonanol 12.28
    cyclohexanol 19.06
    benzyl alcohol 25.64
    2-ethylhexanol 12.06
    isooctanol 13.11
    dipropyl ether 9.72
    1,2-dichlorobenzene 17.99
    ethyl lactate 28.78
    propylene carbonate 52.32
    n-methylformamide 58.03
    2-pentanol 17.44
    n-pentane 0.49
    1-propoxy-2-propanol 56.19
    1-methoxy-2-propyl acetate 52.18
    2-(2-methoxypropoxy) propanol 42.33
    mesitylene 4.93
    ε-caprolactone 59.19
    p-cymene 4.85
    epichlorohydrin 131.57
    1,1,1-trichloroethane 29.71
    2-aminoethanol 25.15
    morpholine-4-carbaldehyde 87.02
    sulfolane 152.06
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 54.32
    n-hexyl acetate 30.5
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 52.89
    sec-butyl acetate 17.82
    tert-butyl acetate 30.13
    decalin 0.53
    glycerin 42.3
    diglyme 72.86
    acrylic acid 34.78
    isopropyl myristate 10.01
    n-butyric acid 47.86
    acetyl acetate 23.81
    di(2-ethylhexyl) phthalate 16.99
    ethyl propionate 23.26
    nitromethane 88.22
    1,2-diethoxyethane 22.06
    benzonitrile 24.38
    trioctyl phosphate 12.34
    1-bromopropane 16.39
    gamma-valerolactone 142.29
    n-decanol 8.17
    triethyl phosphate 12.39
    4-methyl-2-pentanol 13.8
    propionitrile 26.9
    vinylene carbonate 46.34
    1,1,2-trichlorotrifluoroethane 98.41
    DMS 28.61
    cumene 4.24
    2-octanol 8.64
    2-hexanone 29.59
    octyl acetate 14.76
    limonene 5.79
    1,2-dimethoxyethane 54.33
    ethyl orthosilicate 11.19
    tributyl phosphate 13.22
    diacetone alcohol 60.24
    N,N-dimethylaniline 13.01
    acrylonitrile 36.19
    aniline 23.99
    1,3-propanediol 39.77
    bromobenzene 15.94
    dibromomethane 35.6
    1,1,2,2-tetrachloroethane 76.61
    2-methyl-cyclohexyl acetate 21.57
    tetrabutyl urea 18.05
    diisobutyl methanol 7.41
    2-phenylethanol 30.55
    styrene 5.59
    dioctyl adipate 17.61
    dimethyl sulfate 57.65
    ethyl butyrate 18.61
    methyl lactate 51.55
    butyl lactate 33.13
    diethyl carbonate 12.53
    propanediol butyl ether 45.41
    triethyl orthoformate 15.43
    p-tert-butyltoluene 4.75
    methyl 4-tert-butylbenzoate 34.74
    morpholine 66.32
    tert-butylamine 8.57
    n-dodecanol 5.03
    dimethoxymethane 86.94
    ethylene carbonate 37.71
    cyrene 53.11
    2-ethoxyethyl acetate 39.4
    2-ethylhexyl acetate 20.44
    1,2,4-trichlorobenzene 27.09
    4-methylpyridine 39.57
    dibutyl ether 7.06
    2,6-dimethyl-4-heptanol 7.41
    DEF 40.91
    dimethyl isosorbide 71.22
    tetrachloroethylene 34.84
    eugenol 35.68
    triacetin 37.6
    span 80 37.75
    1,4-butanediol 17.54
    1,1-dichloroethane 36.58
    2-methyl-1-pentanol 18.36
    methyl formate 40.06
    2-methyl-1-butanol 22.49
    n-decane 0.46
    butyronitrile 25.62
    3,7-dimethyl-1-octanol 12.61
    1-chlorooctane 4.12
    1-chlorotetradecane 1.29
    n-nonane 0.37
    undecane 0.32
    tert-butylcyclohexane 0.54
    cyclooctane 0.24
    cyclopentanol 30.22
    tetrahydropyran 33.62
    tert-amyl methyl ether 13.02
    2,5,8-trioxanonane 49.99
    1-hexene 2.73
    2-isopropoxyethanol 37.32
    2,2,2-trifluoroethanol 22.46
    methyl butyrate 30.09

    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