Crispanone

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  • Identifiers

    CAS number
    11053-21-7

    Molecular formula
    C20H30O4

    SMILES
    C/C=C(/C)\C(=O)O[C@@H]1C=C(CC[C@]2([C@@]1(C(=O)C[C@@H]2C(C)C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 51.5%
    Herbal 46.56%
    Woody 42.91%
    Sweet 35.12%
    Spicy 34.69%
    Cooling 31.75%
    Fresh 30.45%
    Camphoreous 29.38%
    Warm 25.38%
    Floral 24.36%

     

    Flavor
    Bitter 62.1%
    Minty 33.31%
    Herbal 29.34%
    Cedarleaf 21.4%
    Leaves 20.5%
    Basil 20.36%
    Lovage 20.3%
    Spicy 20.18%
    Parsley 20.04%
    Broom 19.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.63 (neutral)

    Molecular weight
    334.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Melting point expt.

    • 77 - 78 °C

    Flash point

    • 137.15 ˚C est.

  • Synonyms

    • Crispanone
    • Siol angelate
    • 11053-21-7
    • [(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] (Z)-2-methylbut-2-enoate
    • ((1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl) (Z)-2-methylbut-2-enoate
    • RefChem:128473
    • (1R,3AR,4R,8as)-8a-hydroxy-3a,6-dimethyl-3-oxo-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl (2Z)-2-methylbut-2-enoic acid
    • Vaginatin
    • orb1990551
    • CHEMBL4126577
    • CHEBI:191614
    • DTXSID801318565
    • (1R,3aR,4R,8aS)-8a-Hydroxy-3a,6-dimethyl-3-oxo-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl (2Z)-2-methylbut-2-enoate
    • 2-Methyl-2-butenoic acid[1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-isopropyl-3-oxoazulen-4-yl]ester
    • 11053-21-7

  • Applications

    Crispanone (CAS 11053-21-7) is typically used as an intermediate in organic synthesis and as a versatile solvent in diverse industrial formulations. It can function as a processing aid in coatings, inks, and adhesives, helping to dissolve or modify resin systems. The compound may also appear in fragrance applications as an odorant or fixative component and can serve as a solvent or formulation aid in cosmetics and personal care products, subject to regulatory requirements. In polymer and plastics processing, it can act as a processing solvent or reactive modifier in specialty resin formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 718.11
    methanol 768.48
    isopropanol 790.67
    water 0.8
    ethyl acetate 1208.61
    n-propanol 819.74
    acetone 1431.41
    n-butanol 733.17
    acetonitrile 545.3
    DMF 3293.38
    toluene 1307.21
    isobutanol 733.74
    1,4-dioxane 2521.8
    methyl acetate 984.72
    THF 4217.7
    2-butanone 1122.51
    n-pentanol 451.4
    sec-butanol 768.99
    n-hexane 71.71
    ethylene glycol 119.76
    NMP 2686.15
    cyclohexane 180.56
    DMSO 1633.99
    n-butyl acetate 610.01
    n-octanol 228.12
    chloroform 2979.56
    n-propyl acetate 544.1
    acetic acid 1106.35
    dichloromethane 2032.93
    cyclohexanone 1995.28
    propylene glycol 260.18
    isopropyl acetate 978.99
    DMAc 2186.78
    2-ethoxyethanol 730.82
    isopentanol 701.78
    n-heptane 30.08
    ethyl formate 565.07
    1,2-dichloroethane 1522.63
    n-hexanol 561.74
    2-methoxyethanol 1277.2
    isobutyl acetate 418.3
    tetrachloromethane 487.47
    n-pentyl acetate 528.01
    transcutol 1751.9
    n-heptanol 270.63
    ethylbenzene 447.58
    MIBK 791.03
    2-propoxyethanol 1119.17
    tert-butanol 917.52
    MTBE 913.34
    2-butoxyethanol 612.6
    propionic acid 695.38
    o-xylene 608.63
    formic acid 408.46
    diethyl ether 1042.38
    m-xylene 747.21
    p-xylene 552.47
    chlorobenzene 1128.97
    dimethyl carbonate 816.54
    n-octane 14.1
    formamide 668.3
    cyclopentanone 2549.16
    2-pentanone 1176.12
    anisole 775.14
    cyclopentyl methyl ether 1732.73
    gamma-butyrolactone 2531.83
    1-methoxy-2-propanol 1338.81
    pyridine 1894.64
    3-pentanone 919.19
    furfural 1869.43
    n-dodecane 11.85
    diethylene glycol 668.14
    diisopropyl ether 356.56
    tert-amyl alcohol 770.03
    acetylacetone 1452.14
    n-hexadecane 14.83
    acetophenone 755.04
    methyl propionate 1081.71
    isopentyl acetate 625.52
    trichloroethylene 3265.48
    n-nonanol 218.9
    cyclohexanol 1082.77
    benzyl alcohol 616.82
    2-ethylhexanol 284.55
    isooctanol 230.19
    dipropyl ether 321.39
    1,2-dichlorobenzene 965.58
    ethyl lactate 299.93
    propylene carbonate 1336.09
    n-methylformamide 1100.67
    2-pentanol 660.33
    n-pentane 81.3
    1-propoxy-2-propanol 681.85
    1-methoxy-2-propyl acetate 901.12
    2-(2-methoxypropoxy) propanol 500.99
    mesitylene 401.39
    ε-caprolactone 1710.56
    p-cymene 177.57
    epichlorohydrin 2841.94
    1,1,1-trichloroethane 1681.05
    2-aminoethanol 329.31
    morpholine-4-carbaldehyde 2598.9
    sulfolane 2572.44
    2,2,4-trimethylpentane 50.45
    2-methyltetrahydrofuran 2274.51
    n-hexyl acetate 695.56
    isooctane 41.62
    2-(2-butoxyethoxy)ethanol 679.66
    sec-butyl acetate 520.6
    tert-butyl acetate 964.58
    decalin 92.58
    glycerin 402.23
    diglyme 1275.1
    acrylic acid 661.59
    isopropyl myristate 226.49
    n-butyric acid 1030.08
    acetyl acetate 916.19
    di(2-ethylhexyl) phthalate 255.72
    ethyl propionate 567.57
    nitromethane 1880.29
    1,2-diethoxyethane 630.89
    benzonitrile 729.61
    trioctyl phosphate 174.6
    1-bromopropane 867.42
    gamma-valerolactone 3092.7
    n-decanol 146.44
    triethyl phosphate 238.0
    4-methyl-2-pentanol 384.27
    propionitrile 606.44
    vinylene carbonate 1216.27
    1,1,2-trichlorotrifluoroethane 1601.79
    DMS 707.91
    cumene 260.09
    2-octanol 194.91
    2-hexanone 578.02
    octyl acetate 298.71
    limonene 268.99
    1,2-dimethoxyethane 1278.48
    ethyl orthosilicate 228.31
    tributyl phosphate 216.96
    diacetone alcohol 888.35
    N,N-dimethylaniline 514.84
    acrylonitrile 744.97
    aniline 1154.6
    1,3-propanediol 572.67
    bromobenzene 1210.66
    dibromomethane 1297.74
    1,1,2,2-tetrachloroethane 2490.37
    2-methyl-cyclohexyl acetate 405.15
    tetrabutyl urea 281.45
    diisobutyl methanol 165.4
    2-phenylethanol 621.37
    styrene 543.76
    dioctyl adipate 310.57
    dimethyl sulfate 1218.78
    ethyl butyrate 411.21
    methyl lactate 628.01
    butyl lactate 372.57
    diethyl carbonate 304.86
    propanediol butyl ether 459.31
    triethyl orthoformate 318.81
    p-tert-butyltoluene 185.02
    methyl 4-tert-butylbenzoate 601.12
    morpholine 2797.12
    tert-butylamine 530.23
    n-dodecanol 103.85
    dimethoxymethane 1937.94
    ethylene carbonate 1057.22
    cyrene 627.99
    2-ethoxyethyl acetate 764.34
    2-ethylhexyl acetate 498.74
    1,2,4-trichlorobenzene 1150.67
    4-methylpyridine 2071.72
    dibutyl ether 250.13
    2,6-dimethyl-4-heptanol 165.4
    DEF 1377.6
    dimethyl isosorbide 995.84
    tetrachloroethylene 1546.58
    eugenol 522.04
    triacetin 623.4
    span 80 452.64
    1,4-butanediol 212.95
    1,1-dichloroethane 1637.59
    2-methyl-1-pentanol 462.63
    methyl formate 902.42
    2-methyl-1-butanol 730.42
    n-decane 23.09
    butyronitrile 586.76
    3,7-dimethyl-1-octanol 246.52
    1-chlorooctane 153.8
    1-chlorotetradecane 57.63
    n-nonane 19.22
    undecane 15.61
    tert-butylcyclohexane 70.56
    cyclooctane 53.55
    cyclopentanol 1158.86
    tetrahydropyran 2245.26
    tert-amyl methyl ether 673.92
    2,5,8-trioxanonane 775.66
    1-hexene 271.47
    2-isopropoxyethanol 553.08
    2,2,2-trifluoroethanol 534.02
    methyl butyrate 682.82

    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