Hydroxyachillin

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  • Identifiers

    CAS number
    10180-88-8

    Molecular formula
    C15H18O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 47.3%
    Caramellic 42.23%
    Burnt 36.83%
    Odorless 34.06%
    Spicy 30.85%
    Nutty 30.78%
    Roasted 30.63%
    Woody 21.37%
    Coconut 21.11%
    Vanilla 20.69%

     

    Flavor
    Bitter 79.72%
    Cedarleaf 20.49%
    Lovage 20.08%
    Basil 20.02%
    Leaves 19.63%
    Fenugreek 19.5%
    Sweet-like 19.13%
    Seedy 19.06%
    Extremely sweet 19.0%
    Cotton candy 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.96 (weak acid)

    Molecular weight
    262.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    854°C

    Flash point

    • 180.4 ˚C est.

  • Synonyms

    • Hydroxyachillin
    • TB9KU0WDEE
    • (3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
    • (3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-2,7-dione
    • RefChem:147132
    • 10180-88-8
    • 8-Deacetylmatricarin
    • Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-3,6,9-trimethyl-, (3S,3aR,4S,9aS,9bR)-
    • 35879-92-6
    • (3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
    • 8alpha-Hydroxyachillin
    • 4-HYDROXY-3,6,9-TRIMETHYL-2H,3H,3AH,4H,5H,7H,9AH,9BH-AZULENO[4,5-B]FURAN-2,7-DIONE
    • GROSSMISIN
    • GROSSMIZIN
    • UNII-TB9KU0WDEE
    • ACHILLIN, HYDROXY-
    • MEGxp0_001941
    • 8.ALPHA.-HYDROXYACHILLIN
    • ACon1_001501
    • HMS1607E03
    • AKOS001483018
    • CCG-223809
    • NCGC00180440-01
    • NCGC00180440-03
    • BRD-K45238873-001-01-0
    • Q27289878
    • AZULENO(4,5-B)FURAN-2,7-DIONE, 3,3A,4,5,9A,9B-HEXAHYDRO-4-HYDROXY-3,6,9-TRIMETHYL-, (3R,3AR,4S,9AS,9BR)-
    • 10180-88-8

  • Applications

    Hydroxyachillin, CAS 10180-88-8, is commonly regarded as an intermediate in the synthesis of fragrance ingredients and may function as an odorant or fixative in perfumery. It is also evaluated for use in cosmetics and personal care as an aroma ingredient or synthesis intermediate. In industrial contexts, it may be used as a processing aid or additive in polymers/plastics, coatings/inks, and cleaning products, with potential fragrance-related roles in household formulations, and is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.28
    methanol 81.88
    isopropanol 31.52
    water 2.54
    ethyl acetate 42.35
    n-propanol 30.52
    acetone 78.08
    n-butanol 30.7
    acetonitrile 46.08
    DMF 250.16
    toluene 36.08
    isobutanol 26.14
    1,4-dioxane 119.89
    methyl acetate 64.37
    THF 159.52
    2-butanone 74.64
    n-pentanol 27.07
    sec-butanol 23.51
    n-hexane 0.49
    ethylene glycol 28.87
    NMP 210.84
    cyclohexane 1.26
    DMSO 208.66
    n-butyl acetate 39.61
    n-octanol 18.32
    chloroform 200.72
    n-propyl acetate 42.68
    acetic acid 81.15
    dichloromethane 180.6
    cyclohexanone 129.3
    propylene glycol 21.75
    isopropyl acetate 31.49
    DMAc 179.8
    2-ethoxyethanol 68.82
    isopentanol 31.14
    n-heptane 0.57
    ethyl formate 55.46
    1,2-dichloroethane 80.09
    n-hexanol 30.21
    2-methoxyethanol 112.6
    isobutyl acetate 32.41
    tetrachloromethane 17.82
    n-pentyl acetate 38.74
    transcutol 72.9
    n-heptanol 22.89
    ethylbenzene 18.79
    MIBK 35.95
    2-propoxyethanol 86.05
    tert-butanol 31.84
    MTBE 10.54
    2-butoxyethanol 54.14
    propionic acid 56.05
    o-xylene 22.5
    formic acid 72.43
    diethyl ether 14.16
    m-xylene 27.42
    p-xylene 28.39
    chlorobenzene 54.73
    dimethyl carbonate 50.73
    n-octane 0.53
    formamide 100.15
    cyclopentanone 178.25
    2-pentanone 48.92
    anisole 42.01
    cyclopentyl methyl ether 42.3
    gamma-butyrolactone 207.65
    1-methoxy-2-propanol 81.28
    pyridine 121.52
    3-pentanone 40.87
    furfural 184.23
    n-dodecane 0.81
    diethylene glycol 108.68
    diisopropyl ether 5.47
    tert-amyl alcohol 21.35
    acetylacetone 77.14
    n-hexadecane 0.96
    acetophenone 62.93
    methyl propionate 51.13
    isopentyl acetate 37.61
    trichloroethylene 196.18
    n-nonanol 18.42
    cyclohexanol 36.18
    benzyl alcohol 61.92
    2-ethylhexanol 18.57
    isooctanol 20.08
    dipropyl ether 10.3
    1,2-dichlorobenzene 53.17
    ethyl lactate 41.34
    propylene carbonate 111.58
    n-methylformamide 114.95
    2-pentanol 17.27
    n-pentane 0.46
    1-propoxy-2-propanol 48.3
    1-methoxy-2-propyl acetate 55.56
    2-(2-methoxypropoxy) propanol 51.83
    mesitylene 14.02
    ε-caprolactone 105.98
    p-cymene 13.35
    epichlorohydrin 173.5
    1,1,1-trichloroethane 55.17
    2-aminoethanol 34.39
    morpholine-4-carbaldehyde 200.37
    sulfolane 226.42
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 66.44
    n-hexyl acetate 43.04
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 53.97
    sec-butyl acetate 28.32
    tert-butyl acetate 29.92
    decalin 1.72
    glycerin 58.34
    diglyme 92.71
    acrylic acid 70.41
    isopropyl myristate 18.07
    n-butyric acid 60.05
    acetyl acetate 45.7
    di(2-ethylhexyl) phthalate 31.85
    ethyl propionate 35.33
    nitromethane 154.47
    1,2-diethoxyethane 25.98
    benzonitrile 80.33
    trioctyl phosphate 23.2
    1-bromopropane 23.36
    gamma-valerolactone 212.78
    n-decanol 13.7
    triethyl phosphate 24.08
    4-methyl-2-pentanol 14.47
    propionitrile 42.0
    vinylene carbonate 125.9
    1,1,2-trichlorotrifluoroethane 132.06
    DMS 54.35
    cumene 13.84
    2-octanol 15.4
    2-hexanone 41.62
    octyl acetate 24.79
    limonene 14.08
    1,2-dimethoxyethane 94.8
    ethyl orthosilicate 20.67
    tributyl phosphate 24.69
    diacetone alcohol 51.51
    N,N-dimethylaniline 32.0
    acrylonitrile 76.83
    aniline 52.14
    1,3-propanediol 52.06
    bromobenzene 49.17
    dibromomethane 84.58
    1,1,2,2-tetrachloroethane 124.11
    2-methyl-cyclohexyl acetate 36.86
    tetrabutyl urea 34.54
    diisobutyl methanol 10.91
    2-phenylethanol 56.56
    styrene 20.23
    dioctyl adipate 30.77
    dimethyl sulfate 97.54
    ethyl butyrate 29.79
    methyl lactate 57.89
    butyl lactate 39.59
    diethyl carbonate 26.42
    propanediol butyl ether 43.83
    triethyl orthoformate 24.57
    p-tert-butyltoluene 11.07
    methyl 4-tert-butylbenzoate 51.75
    morpholine 103.59
    tert-butylamine 10.67
    n-dodecanol 10.2
    dimethoxymethane 111.5
    ethylene carbonate 98.17
    cyrene 86.07
    2-ethoxyethyl acetate 52.63
    2-ethylhexyl acetate 31.2
    1,2,4-trichlorobenzene 68.94
    4-methylpyridine 103.55
    dibutyl ether 10.29
    2,6-dimethyl-4-heptanol 10.91
    DEF 60.47
    dimethyl isosorbide 85.01
    tetrachloroethylene 80.68
    eugenol 60.27
    triacetin 53.39
    span 80 42.96
    1,4-butanediol 32.06
    1,1-dichloroethane 63.31
    2-methyl-1-pentanol 28.65
    methyl formate 114.57
    2-methyl-1-butanol 26.64
    n-decane 1.24
    butyronitrile 38.36
    3,7-dimethyl-1-octanol 17.13
    1-chlorooctane 8.28
    1-chlorotetradecane 3.8
    n-nonane 0.91
    undecane 0.97
    tert-butylcyclohexane 1.34
    cyclooctane 0.57
    cyclopentanol 47.69
    tetrahydropyran 52.09
    tert-amyl methyl ether 11.62
    2,5,8-trioxanonane 71.01
    1-hexene 3.3
    2-isopropoxyethanol 50.9
    2,2,2-trifluoroethanol 63.31
    methyl butyrate 49.8

    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