Annoglabasin C

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  • Identifiers

    CAS number
    288627-09-8

    Molecular formula
    C23H34O6

    SMILES
    CC(=O)O[C@@]1(C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@H]1C3)(CCC[C@@]4(C)C(=O)O)C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.56%
    Balsamic 34.87%
    Odorless 34.72%
    Cedar 31.83%
    Fruity 31.01%
    Dry 30.68%
    Amber 30.4%
    Musk 27.19%
    Herbal 25.56%
    Pine 24.68%

     

    Flavor
    Bitter 50.93%
    Fruity 31.25%
    Fruit 26.67%
    Sweet 25.34%
    Odorless 25.02%
    Mild 23.54%
    Ripe apricot 22.52%
    Fir 22.2%
    Old wood 22.02%
    Red fruit 22.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    4.64 (weak acid)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 231.45 ˚C est.

  • Synonyms

    • Annoglabasin C
    • CHEBI:175264
    • DTXSID601169407
    • 288627-09-8
    • Kaurane-17,18-dioic acid, 16-(acetyloxy)-, 17-methyl ester, (4I+/-)-
    • (1S,4S,5R,9S,10R,13R,14R)-14-acetyloxy-14-methoxycarbonyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • 16-(Acetyloxy)-17-methoxy-17-oxo-5beta,8alpha,9beta,10alpha,13alpha,16beta-kauran-18-oic acid
    • 288627-09-8

  • Applications

    Annoglabasin C (CAS 288627-09-8) is a small organic compound that may serve as an intermediate in organic synthesis for pharmaceutical and specialty chemical industries; it is commonly evaluated for potential use in fragrance formulations and cosmetic products as an odorant or formulation additive; it may function as a solvent or co-solvent in cleaning and personal care formulations; in industrial manufacturing it can be considered as a building block for specialty polymers or coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.27
    methanol 34.84
    isopropanol 34.81
    water 0.1
    ethyl acetate 24.11
    n-propanol 41.92
    acetone 40.16
    n-butanol 33.5
    acetonitrile 19.69
    DMF 107.81
    toluene 24.36
    isobutanol 23.34
    1,4-dioxane 62.88
    methyl acetate 23.27
    THF 157.46
    2-butanone 38.77
    n-pentanol 16.29
    sec-butanol 15.72
    n-hexane 0.28
    ethylene glycol 8.46
    NMP 91.98
    cyclohexane 0.81
    DMSO 84.25
    n-butyl acetate 15.42
    n-octanol 3.73
    chloroform 87.13
    n-propyl acetate 12.86
    acetic acid 43.04
    dichloromethane 52.64
    cyclohexanone 62.42
    propylene glycol 12.2
    isopropyl acetate 19.87
    DMAc 83.38
    2-ethoxyethanol 37.99
    isopentanol 19.9
    n-heptane 0.16
    ethyl formate 15.28
    1,2-dichloroethane 30.24
    n-hexanol 17.18
    2-methoxyethanol 77.05
    isobutyl acetate 9.61
    tetrachloromethane 8.85
    n-pentyl acetate 12.95
    transcutol 34.54
    n-heptanol 8.25
    ethylbenzene 6.87
    MIBK 19.8
    2-propoxyethanol 69.59
    tert-butanol 21.06
    MTBE 7.88
    2-butoxyethanol 29.35
    propionic acid 25.01
    o-xylene 10.59
    formic acid 22.49
    diethyl ether 15.3
    m-xylene 12.7
    p-xylene 8.22
    chlorobenzene 25.32
    dimethyl carbonate 24.28
    n-octane 0.09
    formamide 34.05
    cyclopentanone 98.65
    2-pentanone 32.07
    anisole 16.7
    cyclopentyl methyl ether 30.8
    gamma-butyrolactone 92.31
    1-methoxy-2-propanol 72.2
    pyridine 68.58
    3-pentanone 23.05
    furfural 68.25
    n-dodecane 0.07
    diethylene glycol 52.11
    diisopropyl ether 3.14
    tert-amyl alcohol 10.79
    acetylacetone 39.56
    n-hexadecane 0.09
    acetophenone 21.81
    methyl propionate 31.16
    isopentyl acetate 15.18
    trichloroethylene 76.29
    n-nonanol 4.46
    cyclohexanol 18.84
    benzyl alcohol 27.2
    2-ethylhexanol 6.07
    isooctanol 6.36
    dipropyl ether 5.01
    1,2-dichlorobenzene 20.25
    ethyl lactate 13.04
    propylene carbonate 35.82
    n-methylformamide 51.47
    2-pentanol 12.26
    n-pentane 0.41
    1-propoxy-2-propanol 33.53
    1-methoxy-2-propyl acetate 32.18
    2-(2-methoxypropoxy) propanol 19.8
    mesitylene 5.68
    ε-caprolactone 47.67
    p-cymene 3.51
    epichlorohydrin 99.84
    1,1,1-trichloroethane 24.91
    2-aminoethanol 24.85
    morpholine-4-carbaldehyde 91.92
    sulfolane 97.71
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 44.03
    n-hexyl acetate 12.96
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 24.86
    sec-butyl acetate 9.55
    tert-butyl acetate 18.29
    decalin 0.51
    glycerin 25.39
    diglyme 42.8
    acrylic acid 28.61
    isopropyl myristate 3.93
    n-butyric acid 36.42
    acetyl acetate 21.4
    di(2-ethylhexyl) phthalate 10.11
    ethyl propionate 12.94
    nitromethane 57.16
    1,2-diethoxyethane 10.86
    benzonitrile 24.94
    trioctyl phosphate 6.13
    1-bromopropane 13.51
    gamma-valerolactone 124.63
    n-decanol 2.65
    triethyl phosphate 7.63
    4-methyl-2-pentanol 7.42
    propionitrile 24.22
    vinylene carbonate 38.56
    1,1,2-trichlorotrifluoroethane 67.7
    DMS 18.04
    cumene 4.01
    2-octanol 3.38
    2-hexanone 16.09
    octyl acetate 6.04
    limonene 3.77
    1,2-dimethoxyethane 42.46
    ethyl orthosilicate 6.95
    tributyl phosphate 5.86
    diacetone alcohol 29.33
    N,N-dimethylaniline 10.97
    acrylonitrile 34.94
    aniline 37.85
    1,3-propanediol 42.96
    bromobenzene 22.77
    dibromomethane 31.86
    1,1,2,2-tetrachloroethane 55.28
    2-methyl-cyclohexyl acetate 12.45
    tetrabutyl urea 8.55
    diisobutyl methanol 3.27
    2-phenylethanol 30.82
    styrene 8.23
    dioctyl adipate 8.98
    dimethyl sulfate 39.3
    ethyl butyrate 10.53
    methyl lactate 28.25
    butyl lactate 15.55
    diethyl carbonate 7.88
    propanediol butyl ether 17.53
    triethyl orthoformate 8.91
    p-tert-butyltoluene 3.29
    methyl 4-tert-butylbenzoate 21.33
    morpholine 88.4
    tert-butylamine 6.08
    n-dodecanol 1.53
    dimethoxymethane 78.07
    ethylene carbonate 31.24
    cyrene 34.98
    2-ethoxyethyl acetate 23.75
    2-ethylhexyl acetate 10.87
    1,2,4-trichlorobenzene 29.06
    4-methylpyridine 56.47
    dibutyl ether 2.21
    2,6-dimethyl-4-heptanol 3.27
    DEF 31.4
    dimethyl isosorbide 37.04
    tetrachloroethylene 37.55
    eugenol 24.34
    triacetin 16.82
    span 80 17.36
    1,4-butanediol 15.07
    1,1-dichloroethane 28.45
    2-methyl-1-pentanol 11.24
    methyl formate 32.19
    2-methyl-1-butanol 16.07
    n-decane 0.16
    butyronitrile 20.48
    3,7-dimethyl-1-octanol 3.91
    1-chlorooctane 1.42
    1-chlorotetradecane 0.44
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.37
    cyclooctane 0.27
    cyclopentanol 30.09
    tetrahydropyran 44.31
    tert-amyl methyl ether 6.56
    2,5,8-trioxanonane 27.87
    1-hexene 1.97
    2-isopropoxyethanol 22.98
    2,2,2-trifluoroethanol 21.82
    methyl butyrate 15.58

    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