Hymenolane

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  • Identifiers

    CAS number
    62121-29-3

    Molecular formula
    C21H30O8

    SMILES
    C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)C)[C@@H](C(=O)O2)C

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  • Odor profile

    Fragrance
    Odorless 69.56%
    Mint 19.6%
    Cooling 18.57%
    Floral 17.29%
    Milky 16.65%
    Woody 16.45%
    Nutty 16.03%
    Clean 15.31%
    Fresh 15.26%
    Roasted 15.0%

     

    Flavor
    Bitter 66.22%
    Fruity 46.21%
    Odorless 26.03%
    Sweet 24.8%
    Mild 21.72%
    Toffee 21.44%
    Molasses 21.15%
    Sweet-like 20.75%
    Cotton candy 20.59%
    Extremely sweet 20.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    4.23 (weak acid)

    Molecular weight
    410.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 177.21 ˚C est.

  • Synonyms

    • Hymenolane
    • BRN 1357654
    • 62121-29-3
    • DTXSID90211183
    • [(1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate
    • Azuleno(6,5-b)furan-2(3H)-one, decahydro-3,4a,8-trimethyl-5,6,7-tris(acetyloxy)-, (3S-(3-alpha,3a-beta,4a-alpha,5-alpha,6-beta,7-beta,7a-beta,8-beta,9a-beta))-
    • ((1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno(6,5-b)furan-6-yl) acetate
    • RefChem:147330
    • DTXCID90133674
    • 66LXL83CAC
    • (3S,3aR,4aS,5R,6R,7R,7aS,8R,9aR)-3,4a,8-Trimethyl-2-oxododecahydroazuleno[6,5-b]furan-5,6,7-triyl triacetate
    • (3S,3aR,4aS,5R,6R,7R,7aS,8R,9aR)-5,6,7-Tris(acetyloxy)decahydro-3,4a,8-trimethylazuleno[6,5-b]furan-2(3H)-one
    • [(1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl]acetate
    • Azuleno[6,5-b]furan-2(3H)-one, 5,6,7-tris(acetyloxy)decahydro-3,4a,8-trimethyl-, (3S,3aR,4aS,5R,6R,7R,7aS,8R,9aR)
    • Azuleno[6,5-b]furan-2(3H)-one, 5,6,7-tris(acetyloxy)decahydro-3,4a,8-trimethyl-, [3S-(3alpha,3abeta,4aalpha,5alpha,6beta,7beta,7abeta,8beta,9abeta)]-
    • 62121-29-3

  • Applications

    Hymenolane is primarily used as a fragrance ingredient and odorant in perfumery; it may function as a mild fixative in fragrance blends; it is commonly evaluated for use in cosmetics and personal care formulations as a scent component; it may be employed as a fragrance additive in household products; it can serve as a specialty chemical intermediate in industrial manufacturing, including fragrance compound synthesis, with potential applications in coatings and inks depending on regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 359.71
    methanol 562.57
    isopropanol 281.67
    water 10.58
    ethyl acetate 489.64
    n-propanol 352.88
    acetone 844.87
    n-butanol 236.29
    acetonitrile 329.04
    DMF 1218.49
    toluene 164.09
    isobutanol 222.61
    1,4-dioxane 735.6
    methyl acetate 523.84
    THF 1497.84
    2-butanone 579.74
    n-pentanol 203.16
    sec-butanol 225.76
    n-hexane 4.47
    ethylene glycol 121.11
    NMP 1701.64
    cyclohexane 9.44
    DMSO 1595.14
    n-butyl acetate 206.67
    n-octanol 51.68
    chloroform 1123.66
    n-propyl acetate 299.56
    acetic acid 1767.4
    dichloromethane 942.31
    cyclohexanone 759.21
    propylene glycol 136.92
    isopropyl acetate 277.05
    DMAc 1296.26
    2-ethoxyethanol 505.26
    isopentanol 164.95
    n-heptane 1.98
    ethyl formate 422.34
    1,2-dichloroethane 533.54
    n-hexanol 125.76
    2-methoxyethanol 741.22
    isobutyl acetate 190.96
    tetrachloromethane 112.32
    n-pentyl acetate 140.05
    transcutol 413.45
    n-heptanol 61.79
    ethylbenzene 70.42
    MIBK 188.84
    2-propoxyethanol 448.59
    tert-butanol 214.73
    MTBE 103.03
    2-butoxyethanol 251.73
    propionic acid 572.04
    o-xylene 83.2
    formic acid 872.62
    diethyl ether 173.95
    m-xylene 84.18
    p-xylene 109.09
    chlorobenzene 277.69
    dimethyl carbonate 414.13
    n-octane 1.31
    formamide 890.11
    cyclopentanone 1210.05
    2-pentanone 390.12
    anisole 185.16
    cyclopentyl methyl ether 327.33
    gamma-butyrolactone 1763.64
    1-methoxy-2-propanol 495.88
    pyridine 748.54
    3-pentanone 290.67
    furfural 1157.61
    n-dodecane 1.56
    diethylene glycol 368.01
    diisopropyl ether 31.77
    tert-amyl alcohol 155.25
    acetylacetone 639.98
    n-hexadecane 1.9
    acetophenone 299.59
    methyl propionate 453.46
    isopentyl acetate 178.03
    trichloroethylene 1159.56
    n-nonanol 51.23
    cyclohexanol 210.93
    benzyl alcohol 284.91
    2-ethylhexanol 56.95
    isooctanol 49.19
    dipropyl ether 54.89
    1,2-dichlorobenzene 242.07
    ethyl lactate 169.42
    propylene carbonate 799.35
    n-methylformamide 770.76
    2-pentanol 109.65
    n-pentane 4.02
    1-propoxy-2-propanol 213.45
    1-methoxy-2-propyl acetate 265.5
    2-(2-methoxypropoxy) propanol 170.3
    mesitylene 36.45
    ε-caprolactone 828.29
    p-cymene 29.83
    epichlorohydrin 1311.18
    1,1,1-trichloroethane 424.01
    2-aminoethanol 246.52
    morpholine-4-carbaldehyde 1248.38
    sulfolane 1663.12
    2,2,4-trimethylpentane 2.85
    2-methyltetrahydrofuran 684.54
    n-hexyl acetate 162.17
    isooctane 1.56
    2-(2-butoxyethoxy)ethanol 220.62
    sec-butyl acetate 182.97
    tert-butyl acetate 189.46
    decalin 7.26
    glycerin 276.31
    diglyme 415.87
    acrylic acid 647.79
    isopropyl myristate 54.84
    n-butyric acid 657.15
    acetyl acetate 493.32
    di(2-ethylhexyl) phthalate 94.85
    ethyl propionate 236.83
    nitromethane 2001.67
    1,2-diethoxyethane 141.03
    benzonitrile 280.17
    trioctyl phosphate 63.17
    1-bromopropane 210.11
    gamma-valerolactone 1723.66
    n-decanol 34.57
    triethyl phosphate 93.81
    4-methyl-2-pentanol 59.18
    propionitrile 240.9
    vinylene carbonate 771.31
    1,1,2-trichlorotrifluoroethane 871.38
    DMS 229.79
    cumene 43.92
    2-octanol 36.45
    2-hexanone 260.66
    octyl acetate 82.51
    limonene 36.25
    1,2-dimethoxyethane 561.74
    ethyl orthosilicate 79.67
    tributyl phosphate 77.41
    diacetone alcohol 253.96
    N,N-dimethylaniline 121.47
    acrylonitrile 394.81
    aniline 290.77
    1,3-propanediol 361.71
    bromobenzene 262.84
    dibromomethane 546.79
    1,1,2,2-tetrachloroethane 777.03
    2-methyl-cyclohexyl acetate 144.26
    tetrabutyl urea 100.36
    diisobutyl methanol 23.38
    2-phenylethanol 196.79
    styrene 87.33
    dioctyl adipate 109.69
    dimethyl sulfate 758.8
    ethyl butyrate 143.9
    methyl lactate 299.12
    butyl lactate 135.54
    diethyl carbonate 122.04
    propanediol butyl ether 172.58
    triethyl orthoformate 101.16
    p-tert-butyltoluene 24.44
    methyl 4-tert-butylbenzoate 171.01
    morpholine 882.07
    tert-butylamine 63.04
    n-dodecanol 23.51
    dimethoxymethane 676.24
    ethylene carbonate 631.22
    cyrene 347.85
    2-ethoxyethyl acetate 240.54
    2-ethylhexyl acetate 136.79
    1,2,4-trichlorobenzene 353.01
    4-methylpyridine 654.76
    dibutyl ether 40.84
    2,6-dimethyl-4-heptanol 23.38
    DEF 443.7
    dimethyl isosorbide 318.31
    tetrachloroethylene 494.9
    eugenol 171.25
    triacetin 208.87
    span 80 150.29
    1,4-butanediol 178.62
    1,1-dichloroethane 489.27
    2-methyl-1-pentanol 161.77
    methyl formate 693.94
    2-methyl-1-butanol 177.59
    n-decane 2.72
    butyronitrile 211.38
    3,7-dimethyl-1-octanol 47.56
    1-chlorooctane 21.35
    1-chlorotetradecane 8.44
    n-nonane 2.06
    undecane 1.98
    tert-butylcyclohexane 4.6
    cyclooctane 2.68
    cyclopentanol 405.04
    tetrahydropyran 513.94
    tert-amyl methyl ether 87.55
    2,5,8-trioxanonane 259.38
    1-hexene 32.26
    2-isopropoxyethanol 320.62
    2,2,2-trifluoroethanol 712.43
    methyl butyrate 325.14

    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