Annosquamosin B

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  • Identifiers

    CAS number
    177742-56-2

    Molecular formula
    C19H32O3

    SMILES
    C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@@](C4)(CO)O)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 64.17%
    Sweet 46.77%
    Balsamic 45.12%
    Amber 41.37%
    Camphoreous 41.28%
    Earthy 35.07%
    Dry 34.85%
    Mint 34.57%
    Musk 34.43%
    Sandalwood 34.24%

     

    Flavor
    Sweet 43.13%
    Earthy 41.56%
    Fruity 34.39%
    Minty 32.34%
    Fruit 31.61%
    Herbal 31.52%
    Spicy 28.47%
    Fresh 28.07%
    Pine 28.04%
    Earth 27.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.14 (weak base)

    Molecular weight
    308.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    313°C

    Flash point

    • 231.67 ˚C est.

  • Synonyms

    • Annosquamosin B
    • 19-nor-ent-kaurane-4alpha,16beta,17-triol
    • RefChem:915914
    • 14-(hydroxymethyl)-5,9-dimethyltetracyclo(11.2.1.0^(1,10).0^(4,9))hexadecane-5,14-diol
    • 177742-56-2
    • CHEMBL516819
    • SCHEMBL31497491
    • 177742-56-2

  • Applications

    Annosquamosin B (CAS 177742-56-2) may be used as an intermediate and building block in pharmaceutical synthesis, and as a scaffold for medicinal-chemistry lead optimization. It is evaluated as a specialty reagent in organic synthesis for assembling complex molecules. In industry, it can serve as a precursor for formulations in coatings and inks, and as a building block or additive in polymer/plastic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.81
    methanol 268.2
    isopropanol 82.51
    water 2.89
    ethyl acetate 70.17
    n-propanol 91.13
    acetone 138.93
    n-butanol 79.97
    acetonitrile 65.82
    DMF 214.78
    toluene 39.03
    isobutanol 42.24
    1,4-dioxane 209.88
    methyl acetate 41.67
    THF 756.46
    2-butanone 47.61
    n-pentanol 20.82
    sec-butanol 15.66
    n-hexane 0.8
    ethylene glycol 35.43
    NMP 74.14
    cyclohexane 2.02
    DMSO 200.3
    n-butyl acetate 41.89
    n-octanol 18.46
    chloroform 86.59
    n-propyl acetate 27.79
    acetic acid 81.05
    dichloromethane 60.56
    cyclohexanone 91.91
    propylene glycol 32.48
    isopropyl acetate 64.75
    DMAc 76.74
    2-ethoxyethanol 80.32
    isopentanol 52.14
    n-heptane 1.77
    ethyl formate 49.51
    1,2-dichloroethane 38.54
    n-hexanol 43.6
    2-methoxyethanol 299.87
    isobutyl acetate 26.08
    tetrachloromethane 13.48
    n-pentyl acetate 35.48
    transcutol 211.15
    n-heptanol 30.19
    ethylbenzene 10.5
    MIBK 63.64
    2-propoxyethanol 177.9
    tert-butanol 64.18
    MTBE 27.95
    2-butoxyethanol 88.84
    propionic acid 35.68
    o-xylene 17.01
    formic acid 82.72
    diethyl ether 54.26
    m-xylene 34.62
    p-xylene 12.29
    chlorobenzene 32.37
    dimethyl carbonate 51.56
    n-octane 0.97
    formamide 124.77
    cyclopentanone 180.28
    2-pentanone 75.88
    anisole 34.09
    cyclopentyl methyl ether 105.39
    gamma-butyrolactone 188.98
    1-methoxy-2-propanol 231.31
    pyridine 92.7
    3-pentanone 32.12
    furfural 140.44
    n-dodecane 0.7
    diethylene glycol 155.86
    diisopropyl ether 15.29
    tert-amyl alcohol 15.03
    acetylacetone 125.89
    n-hexadecane 0.84
    acetophenone 35.64
    methyl propionate 56.75
    isopentyl acetate 43.21
    trichloroethylene 86.79
    n-nonanol 19.09
    cyclohexanol 30.92
    benzyl alcohol 36.32
    2-ethylhexanol 19.3
    isooctanol 24.26
    dipropyl ether 27.35
    1,2-dichlorobenzene 27.29
    ethyl lactate 30.38
    propylene carbonate 72.11
    n-methylformamide 161.47
    2-pentanol 25.93
    n-pentane 1.51
    1-propoxy-2-propanol 105.33
    1-methoxy-2-propyl acetate 97.82
    2-(2-methoxypropoxy) propanol 56.61
    mesitylene 18.71
    ε-caprolactone 73.54
    p-cymene 11.61
    epichlorohydrin 188.79
    1,1,1-trichloroethane 30.32
    2-aminoethanol 80.71
    morpholine-4-carbaldehyde 142.59
    sulfolane 147.76
    2,2,4-trimethylpentane 0.82
    2-methyltetrahydrofuran 108.95
    n-hexyl acetate 38.16
    isooctane 1.55
    2-(2-butoxyethoxy)ethanol 90.42
    sec-butyl acetate 22.26
    tert-butyl acetate 69.41
    decalin 1.38
    glycerin 88.23
    diglyme 162.78
    acrylic acid 41.05
    isopropyl myristate 14.13
    n-butyric acid 82.14
    acetyl acetate 58.45
    di(2-ethylhexyl) phthalate 20.63
    ethyl propionate 29.82
    nitromethane 166.7
    1,2-diethoxyethane 50.75
    benzonitrile 42.14
    trioctyl phosphate 17.04
    1-bromopropane 15.49
    gamma-valerolactone 255.55
    n-decanol 12.64
    triethyl phosphate 18.31
    4-methyl-2-pentanol 24.52
    propionitrile 46.0
    vinylene carbonate 79.15
    1,1,2-trichlorotrifluoroethane 106.18
    DMS 37.17
    cumene 8.08
    2-octanol 14.8
    2-hexanone 22.28
    octyl acetate 18.43
    limonene 12.33
    1,2-dimethoxyethane 129.39
    ethyl orthosilicate 18.01
    tributyl phosphate 15.58
    diacetone alcohol 82.83
    N,N-dimethylaniline 23.23
    acrylonitrile 67.54
    aniline 50.63
    1,3-propanediol 143.95
    bromobenzene 28.16
    dibromomethane 32.21
    1,1,2,2-tetrachloroethane 59.8
    2-methyl-cyclohexyl acetate 28.33
    tetrabutyl urea 20.7
    diisobutyl methanol 15.67
    2-phenylethanol 50.81
    styrene 11.48
    dioctyl adipate 21.71
    dimethyl sulfate 70.96
    ethyl butyrate 32.04
    methyl lactate 57.39
    butyl lactate 42.26
    diethyl carbonate 21.59
    propanediol butyl ether 62.31
    triethyl orthoformate 29.05
    p-tert-butyltoluene 12.41
    methyl 4-tert-butylbenzoate 51.83
    morpholine 218.93
    tert-butylamine 23.63
    n-dodecanol 8.07
    dimethoxymethane 348.9
    ethylene carbonate 68.14
    cyrene 59.21
    2-ethoxyethyl acetate 61.3
    2-ethylhexyl acetate 28.56
    1,2,4-trichlorobenzene 33.89
    4-methylpyridine 69.9
    dibutyl ether 13.61
    2,6-dimethyl-4-heptanol 15.67
    DEF 48.98
    dimethyl isosorbide 102.46
    tetrachloroethylene 44.83
    eugenol 54.46
    triacetin 46.91
    span 80 46.11
    1,4-butanediol 24.67
    1,1-dichloroethane 32.15
    2-methyl-1-pentanol 15.04
    methyl formate 119.92
    2-methyl-1-butanol 26.68
    n-decane 1.46
    butyronitrile 53.54
    3,7-dimethyl-1-octanol 17.3
    1-chlorooctane 6.59
    1-chlorotetradecane 2.22
    n-nonane 1.21
    undecane 0.98
    tert-butylcyclohexane 1.3
    cyclooctane 1.28
    cyclopentanol 49.11
    tetrahydropyran 116.09
    tert-amyl methyl ether 14.73
    2,5,8-trioxanonane 95.54
    1-hexene 3.44
    2-isopropoxyethanol 46.54
    2,2,2-trifluoroethanol 44.87
    methyl butyrate 32.46

    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