Anabsinthin

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  • Identifiers

    CAS number
    6903-12-4

    Molecular formula
    C30H40O6

    SMILES
    C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C[C@]6([C@@]7([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](O6)(CC[C@@H]8[C@@H]7OC(=O)[C@H]8C)C)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 45.25%
    Odorless 38.58%
    Spicy 38.54%
    Sweet 25.58%
    Mint 21.25%
    Fresh 21.21%
    Lactonic 20.56%
    Herbal 19.69%
    Balsamic 19.41%
    Cooling 18.93%

     

    Flavor
    Bitter 86.37%
    Fatty 25.03%
    Cedarleaf 22.88%
    Sweet-like 21.23%
    Ripe apricot 19.77%
    Red fruit 19.37%
    Lovage 19.26%
    Cereal 19.11%
    Patchouli 19.02%
    Beet 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    4.47 (weak acid)

    Molecular weight
    496.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    178°C

    Flash point

    • 133.37 ˚C est.

  • Synonyms

    • anabsinthin
    • (+)-Anabsinthin
    • 7HI090W6CT
    • 6903-12-4
    • Dicyclohepta(1,2-b:1',2'-b')difuran-2,12(11H)-dione, 3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6-hydroxy-3,6,8,11,14,15-hexamethyl-, (3S,3aS,6S,6aR,6bS,7R,7aR,8S,10aS,11S,13aS,13bS,13cr,14bS,15S)-
    • (1S,2R,5S,8S,9S,12S,13R,14S,15R,17S,19S,22S,23S,26S,27R)-12-hydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo(13.11.1.01,17.02,14.04,13.05,9.019,27.022,26)heptacos-3-ene-7,24-dione
    • (1S,2R,5S,8S,9S,12S,13R,14S,15R,17S,19S,22S,23S,26S,27R)-12-hydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione
    • Anabsinthin anhydrous
    • RefChem:112475
    • Anabsinthin [MI]
    • Anabsinthin anhydrous form [MI]
    • UNII-7HI090W6CT
    • CHEMBL502386
    • SCHEMBL30502498
    • CHEBI:187864
    • DTXSID701382616
    • FA10070
    • NS00093997
    • Q27268301
    • 6903-12-4

  • Applications

    Anabsinthin (CAS 6903-12-4) is used across several industrial and consumer applications as a fragrance-related ingredient and chemical intermediate. In perfumery and cosmetics, it may function as an odorant component or aroma compound. It is also evaluated for use in household products and air fresheners as a fragrance additive. In industrial manufacturing, it can serve as an intermediate in organic synthesis or as a processing aid. In coatings and inks, it may be incorporated as a specialty additive to influence odor, volatility, or formulation properties. In polymer formulations, it can act as a precursor or additive to modify performance characteristics. Additionally, it may be considered in cleaning formulations as a solvent or fragrance modifier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.47
    methanol 38.5
    isopropanol 26.33
    water 0.38
    ethyl acetate 44.57
    n-propanol 40.13
    acetone 63.94
    n-butanol 36.55
    acetonitrile 52.22
    DMF 158.19
    toluene 16.69
    isobutanol 27.58
    1,4-dioxane 71.85
    methyl acetate 46.96
    THF 117.43
    2-butanone 62.08
    n-pentanol 29.29
    sec-butanol 20.51
    n-hexane 0.54
    ethylene glycol 12.55
    NMP 149.63
    cyclohexane 1.02
    DMSO 127.02
    n-butyl acetate 37.33
    n-octanol 11.51
    chloroform 126.02
    n-propyl acetate 35.27
    acetic acid 101.73
    dichloromethane 85.76
    cyclohexanone 89.69
    propylene glycol 17.28
    isopropyl acetate 33.94
    DMAc 134.03
    2-ethoxyethanol 61.11
    isopentanol 27.11
    n-heptane 0.38
    ethyl formate 41.05
    1,2-dichloroethane 44.35
    n-hexanol 26.55
    2-methoxyethanol 91.51
    isobutyl acetate 29.12
    tetrachloromethane 16.01
    n-pentyl acetate 34.29
    transcutol 61.7
    n-heptanol 18.69
    ethylbenzene 7.9
    MIBK 32.03
    2-propoxyethanol 92.54
    tert-butanol 18.52
    MTBE 11.86
    2-butoxyethanol 61.49
    propionic acid 51.35
    o-xylene 8.43
    formic acid 49.96
    diethyl ether 21.02
    m-xylene 9.47
    p-xylene 10.62
    chlorobenzene 35.67
    dimethyl carbonate 45.41
    n-octane 0.21
    formamide 63.52
    cyclopentanone 123.77
    2-pentanone 47.94
    anisole 26.61
    cyclopentyl methyl ether 30.82
    gamma-butyrolactone 143.38
    1-methoxy-2-propanol 78.7
    pyridine 85.75
    3-pentanone 39.57
    furfural 138.76
    n-dodecane 0.22
    diethylene glycol 66.75
    diisopropyl ether 4.96
    tert-amyl alcohol 15.1
    acetylacetone 64.33
    n-hexadecane 0.28
    acetophenone 39.35
    methyl propionate 50.53
    isopentyl acetate 36.29
    trichloroethylene 109.29
    n-nonanol 13.05
    cyclohexanol 22.99
    benzyl alcohol 38.51
    2-ethylhexanol 12.9
    isooctanol 14.74
    dipropyl ether 10.62
    1,2-dichlorobenzene 36.33
    ethyl lactate 32.5
    propylene carbonate 77.62
    n-methylformamide 90.51
    2-pentanol 15.78
    n-pentane 0.64
    1-propoxy-2-propanol 50.48
    1-methoxy-2-propyl acetate 57.34
    2-(2-methoxypropoxy) propanol 43.61
    mesitylene 4.95
    ε-caprolactone 87.8
    p-cymene 5.99
    epichlorohydrin 132.06
    1,1,1-trichloroethane 42.51
    2-aminoethanol 29.78
    morpholine-4-carbaldehyde 161.4
    sulfolane 155.34
    2,2,4-trimethylpentane 0.45
    2-methyltetrahydrofuran 46.21
    n-hexyl acetate 34.83
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 50.95
    sec-butyl acetate 22.78
    tert-butyl acetate 28.79
    decalin 0.78
    glycerin 40.04
    diglyme 85.3
    acrylic acid 60.92
    isopropyl myristate 11.92
    n-butyric acid 69.31
    acetyl acetate 47.24
    di(2-ethylhexyl) phthalate 25.99
    ethyl propionate 32.45
    nitromethane 163.21
    1,2-diethoxyethane 19.8
    benzonitrile 48.85
    trioctyl phosphate 16.69
    1-bromopropane 20.81
    gamma-valerolactone 222.33
    n-decanol 7.86
    triethyl phosphate 18.53
    4-methyl-2-pentanol 11.01
    propionitrile 49.29
    vinylene carbonate 94.01
    1,1,2-trichlorotrifluoroethane 124.52
    DMS 39.63
    cumene 5.49
    2-octanol 9.12
    2-hexanone 35.59
    octyl acetate 18.8
    limonene 6.88
    1,2-dimethoxyethane 70.28
    ethyl orthosilicate 16.14
    tributyl phosphate 16.89
    diacetone alcohol 41.1
    N,N-dimethylaniline 16.07
    acrylonitrile 72.39
    aniline 32.39
    1,3-propanediol 47.31
    bromobenzene 32.55
    dibromomethane 49.27
    1,1,2,2-tetrachloroethane 77.17
    2-methyl-cyclohexyl acetate 29.96
    tetrabutyl urea 23.44
    diisobutyl methanol 5.97
    2-phenylethanol 42.75
    styrene 10.18
    dioctyl adipate 24.25
    dimethyl sulfate 70.78
    ethyl butyrate 26.27
    methyl lactate 51.96
    butyl lactate 37.24
    diethyl carbonate 21.53
    propanediol butyl ether 41.14
    triethyl orthoformate 21.88
    p-tert-butyltoluene 4.88
    methyl 4-tert-butylbenzoate 42.37
    morpholine 89.97
    tert-butylamine 7.33
    n-dodecanol 4.72
    dimethoxymethane 90.4
    ethylene carbonate 74.73
    cyrene 68.54
    2-ethoxyethyl acetate 53.42
    2-ethylhexyl acetate 28.37
    1,2,4-trichlorobenzene 50.35
    4-methylpyridine 66.17
    dibutyl ether 6.53
    2,6-dimethyl-4-heptanol 5.97
    DEF 55.99
    dimethyl isosorbide 69.26
    tetrachloroethylene 52.67
    eugenol 51.08
    triacetin 47.59
    span 80 37.8
    1,4-butanediol 24.36
    1,1-dichloroethane 39.88
    2-methyl-1-pentanol 21.83
    methyl formate 63.25
    2-methyl-1-butanol 26.2
    n-decane 0.48
    butyronitrile 41.51
    3,7-dimethyl-1-octanol 10.11
    1-chlorooctane 3.97
    1-chlorotetradecane 1.33
    n-nonane 0.33
    undecane 0.31
    tert-butylcyclohexane 0.59
    cyclooctane 0.34
    cyclopentanol 32.52
    tetrahydropyran 43.59
    tert-amyl methyl ether 10.73
    2,5,8-trioxanonane 54.73
    1-hexene 3.75
    2-isopropoxyethanol 40.76
    2,2,2-trifluoroethanol 51.86
    methyl butyrate 40.0

    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