Artabsinolide A

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  • Identifiers

    CAS number
    82078-63-5

    Molecular formula
    C15H20O5

    SMILES
    C[C@H]1[C@@H]2CC[C@](C3=C([C@H]2OC1=O)[C@](CC3=O)(C)O)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 55.42%
    Woody 34.1%
    Odorless 33.77%
    Spicy 27.37%
    Creamy 27.03%
    Lactonic 24.97%
    Coconut 24.48%
    Tobacco 24.22%
    Nutty 24.02%
    Mint 22.37%

     

    Flavor
    Bitter 76.88%
    Sweet-like 21.74%
    Cedarleaf 21.2%
    Fenugreek 21.13%
    Cotton candy 20.87%
    Ripe apricot 20.82%
    Seedy 20.73%
    Extremely sweet 20.71%
    Red fruit 20.63%
    Leaves 20.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.36 (neutral)

    Molecular weight
    280.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    909°C

    Flash point

    • 189.32 ˚C est.

  • Synonyms

    • Artabsinolide A
    • CHEBI:174668
    • DTXSID001110688
    • NS00094000
    • (3S,3aS,6S,9R,9bS)-3,3a,4,5,6,8,9,9b-Octahydro-6,9-dihydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2,7-dione
    • (3S,3aS,6S,9R,9bS)-6,9-dihydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]uran-2,7-dione
    • 82078-63-5
    • 82078-63-5

  • Applications

    Artabsinolide A is a natural product that is commonly evaluated as an intermediate in organic synthesis and as a source of chiral building blocks for pharmaceutical and chemical research; it is also explored for fragrance applications as a specialty aroma component in perfumery and cosmetics, and may be used as a fragrance-related additive in coatings, inks, and related product formulations, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.29
    methanol 105.1
    isopropanol 32.85
    water 2.3
    ethyl acetate 38.23
    n-propanol 31.98
    acetone 78.18
    n-butanol 31.0
    acetonitrile 37.02
    DMF 277.08
    toluene 14.1
    isobutanol 25.65
    1,4-dioxane 95.32
    methyl acetate 55.41
    THF 155.24
    2-butanone 66.31
    n-pentanol 25.39
    sec-butanol 24.75
    n-hexane 0.37
    ethylene glycol 34.5
    NMP 199.59
    cyclohexane 0.84
    DMSO 321.13
    n-butyl acetate 35.75
    n-octanol 17.94
    chloroform 124.64
    n-propyl acetate 36.84
    acetic acid 58.1
    dichloromethane 98.93
    cyclohexanone 105.82
    propylene glycol 30.06
    isopropyl acetate 26.73
    DMAc 201.1
    2-ethoxyethanol 67.34
    isopentanol 27.28
    n-heptane 0.41
    ethyl formate 56.01
    1,2-dichloroethane 50.23
    n-hexanol 29.63
    2-methoxyethanol 120.29
    isobutyl acetate 27.28
    tetrachloromethane 11.85
    n-pentyl acetate 30.36
    transcutol 41.8
    n-heptanol 20.49
    ethylbenzene 10.61
    MIBK 30.96
    2-propoxyethanol 92.35
    tert-butanol 31.71
    MTBE 8.29
    2-butoxyethanol 47.86
    propionic acid 46.12
    o-xylene 11.32
    formic acid 76.3
    diethyl ether 12.58
    m-xylene 12.58
    p-xylene 15.83
    chlorobenzene 27.15
    dimethyl carbonate 49.02
    n-octane 0.37
    formamide 89.61
    cyclopentanone 151.97
    2-pentanone 43.48
    anisole 30.3
    cyclopentyl methyl ether 30.82
    gamma-butyrolactone 168.14
    1-methoxy-2-propanol 85.4
    pyridine 70.89
    3-pentanone 33.94
    furfural 154.19
    n-dodecane 0.56
    diethylene glycol 108.34
    diisopropyl ether 3.73
    tert-amyl alcohol 20.24
    acetylacetone 69.74
    n-hexadecane 0.68
    acetophenone 48.08
    methyl propionate 48.25
    isopentyl acetate 32.12
    trichloroethylene 112.47
    n-nonanol 16.65
    cyclohexanol 29.85
    benzyl alcohol 46.15
    2-ethylhexanol 15.51
    isooctanol 15.95
    dipropyl ether 7.97
    1,2-dichlorobenzene 31.44
    ethyl lactate 43.08
    propylene carbonate 94.33
    n-methylformamide 127.94
    2-pentanol 15.08
    n-pentane 0.35
    1-propoxy-2-propanol 45.74
    1-methoxy-2-propyl acetate 52.81
    2-(2-methoxypropoxy) propanol 41.08
    mesitylene 7.38
    ε-caprolactone 89.43
    p-cymene 8.77
    epichlorohydrin 137.0
    1,1,1-trichloroethane 35.04
    2-aminoethanol 40.94
    morpholine-4-carbaldehyde 192.49
    sulfolane 212.17
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 53.28
    n-hexyl acetate 36.7
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 40.02
    sec-butyl acetate 21.94
    tert-butyl acetate 24.91
    decalin 1.12
    glycerin 72.19
    diglyme 71.79
    acrylic acid 53.73
    isopropyl myristate 15.44
    n-butyric acid 50.46
    acetyl acetate 36.04
    di(2-ethylhexyl) phthalate 27.9
    ethyl propionate 32.96
    nitromethane 136.28
    1,2-diethoxyethane 17.46
    benzonitrile 58.18
    trioctyl phosphate 22.57
    1-bromopropane 16.48
    gamma-valerolactone 187.23
    n-decanol 11.9
    triethyl phosphate 22.33
    4-methyl-2-pentanol 11.71
    propionitrile 39.1
    vinylene carbonate 100.99
    1,1,2-trichlorotrifluoroethane 125.38
    DMS 45.66
    cumene 8.36
    2-octanol 13.89
    2-hexanone 40.24
    octyl acetate 23.04
    limonene 9.59
    1,2-dimethoxyethane 102.57
    ethyl orthosilicate 17.56
    tributyl phosphate 22.64
    diacetone alcohol 49.93
    N,N-dimethylaniline 23.66
    acrylonitrile 65.63
    aniline 27.58
    1,3-propanediol 55.69
    bromobenzene 23.61
    dibromomethane 48.45
    1,1,2,2-tetrachloroethane 84.01
    2-methyl-cyclohexyl acetate 30.87
    tetrabutyl urea 34.76
    diisobutyl methanol 8.23
    2-phenylethanol 49.15
    styrene 10.51
    dioctyl adipate 26.53
    dimethyl sulfate 98.99
    ethyl butyrate 26.15
    methyl lactate 63.35
    butyl lactate 34.77
    diethyl carbonate 23.59
    propanediol butyl ether 42.03
    triethyl orthoformate 20.23
    p-tert-butyltoluene 7.44
    methyl 4-tert-butylbenzoate 44.49
    morpholine 94.07
    tert-butylamine 9.08
    n-dodecanol 8.57
    dimethoxymethane 116.56
    ethylene carbonate 83.58
    cyrene 83.39
    2-ethoxyethyl acetate 38.23
    2-ethylhexyl acetate 26.67
    1,2,4-trichlorobenzene 40.27
    4-methylpyridine 66.35
    dibutyl ether 7.95
    2,6-dimethyl-4-heptanol 8.23
    DEF 63.58
    dimethyl isosorbide 75.51
    tetrachloroethylene 50.88
    eugenol 52.95
    triacetin 42.13
    span 80 37.27
    1,4-butanediol 37.06
    1,1-dichloroethane 39.77
    2-methyl-1-pentanol 23.16
    methyl formate 122.78
    2-methyl-1-butanol 23.97
    n-decane 0.91
    butyronitrile 35.33
    3,7-dimethyl-1-octanol 14.99
    1-chlorooctane 6.75
    1-chlorotetradecane 2.84
    n-nonane 0.68
    undecane 0.7
    tert-butylcyclohexane 0.89
    cyclooctane 0.39
    cyclopentanol 42.22
    tetrahydropyran 42.97
    tert-amyl methyl ether 9.51
    2,5,8-trioxanonane 56.8
    1-hexene 2.53
    2-isopropoxyethanol 44.76
    2,2,2-trifluoroethanol 48.37
    methyl butyrate 49.28

    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