Cumambrin A

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  • Identifiers

    CAS number
    20482-33-1

    Molecular formula
    C17H22O5

    SMILES
    CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@H](C[C@@]2(C)O)OC(=O)C)C(=C)C(=O)O3

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.0%
    Sweet 29.27%
    Spicy 29.17%
    Woody 29.1%
    Mint 27.54%
    Herbal 24.2%
    Nutty 20.8%
    Green 20.16%
    Cooling 18.78%
    Fresh 18.49%

     

    Flavor
    Bitter 82.55%
    Cedarleaf 20.83%
    Minty 20.6%
    Odorless 20.43%
    Sweet-like 19.73%
    Lovage 19.45%
    Ripe apricot 19.43%
    Leaves 19.39%
    Fenugreek 19.39%
    Seedy 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.03 (neutral)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    477°C

    Flash point

    • 171.79 ˚C est.

  • Synonyms

    • cumambrin A
    • 20482-33-1
    • DTXSID80174450
    • [(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
    • Azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,6,6a,7,9a,9b-octahydro-6-hydroxy-6,9-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-
    • ((3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno(4,5-b)furan-4-yl) acetate
    • RefChem:128775
    • DTXCID9096941
    • CHEMBL190755
    • SCHEMBL29770064
    • (3aR,4S,6R,6aR,9aR,9bR)-6-Hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl acetate
    • 20482-33-1

  • Applications

    Cumambrin A (CAS 20482-33-1) may function as an odorant/fragrance ingredient and could be used as a fragrance component in perfumery and fragrance applications; it may be evaluated for cosmetics and personal care as a fragrance ingredient; it could be used in household products such as cleaners and air fresheners to impart fragrance; it may be considered as an aroma compound for food processing or flavor development; in industrial manufacturing, it could serve as an intermediate in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.3
    methanol 492.78
    isopropanol 140.08
    water 1.91
    ethyl acetate 158.14
    n-propanol 125.2
    acetone 414.45
    n-butanol 123.06
    acetonitrile 140.85
    DMF 1068.29
    toluene 84.28
    isobutanol 99.37
    1,4-dioxane 534.55
    methyl acetate 193.43
    THF 871.35
    2-butanone 251.49
    n-pentanol 83.74
    sec-butanol 92.08
    n-hexane 1.22
    ethylene glycol 68.49
    NMP 722.03
    cyclohexane 4.27
    DMSO 712.25
    n-butyl acetate 84.29
    n-octanol 39.26
    chloroform 638.09
    n-propyl acetate 108.22
    acetic acid 353.06
    dichloromethane 479.41
    cyclohexanone 377.16
    propylene glycol 95.57
    isopropyl acetate 92.94
    DMAc 699.33
    2-ethoxyethanol 211.96
    isopentanol 109.01
    n-heptane 1.08
    ethyl formate 153.53
    1,2-dichloroethane 217.69
    n-hexanol 74.34
    2-methoxyethanol 441.98
    isobutyl acetate 79.71
    tetrachloromethane 33.64
    n-pentyl acetate 69.04
    transcutol 331.79
    n-heptanol 42.64
    ethylbenzene 38.25
    MIBK 103.36
    2-propoxyethanol 247.13
    tert-butanol 128.61
    MTBE 40.78
    2-butoxyethanol 129.65
    propionic acid 173.31
    o-xylene 47.22
    formic acid 272.36
    diethyl ether 54.58
    m-xylene 56.6
    p-xylene 59.27
    chlorobenzene 118.12
    dimethyl carbonate 187.01
    n-octane 0.79
    formamide 376.23
    cyclopentanone 549.48
    2-pentanone 169.94
    anisole 122.54
    cyclopentyl methyl ether 161.46
    gamma-butyrolactone 649.58
    1-methoxy-2-propanol 330.99
    pyridine 347.0
    3-pentanone 126.31
    furfural 506.59
    n-dodecane 1.2
    diethylene glycol 260.94
    diisopropyl ether 14.16
    tert-amyl alcohol 70.56
    acetylacetone 267.68
    n-hexadecane 1.45
    acetophenone 155.74
    methyl propionate 181.13
    isopentyl acetate 82.72
    trichloroethylene 523.57
    n-nonanol 37.4
    cyclohexanol 120.41
    benzyl alcohol 154.96
    2-ethylhexanol 34.58
    isooctanol 35.77
    dipropyl ether 27.4
    1,2-dichlorobenzene 109.85
    ethyl lactate 94.95
    propylene carbonate 311.82
    n-methylformamide 466.12
    2-pentanol 57.66
    n-pentane 1.24
    1-propoxy-2-propanol 127.23
    1-methoxy-2-propyl acetate 136.55
    2-(2-methoxypropoxy) propanol 122.04
    mesitylene 27.95
    ε-caprolactone 300.09
    p-cymene 19.14
    epichlorohydrin 568.72
    1,1,1-trichloroethane 133.72
    2-aminoethanol 114.72
    morpholine-4-carbaldehyde 717.78
    sulfolane 642.64
    2,2,4-trimethylpentane 1.22
    2-methyltetrahydrofuran 264.04
    n-hexyl acetate 91.16
    isooctane 1.07
    2-(2-butoxyethoxy)ethanol 152.09
    sec-butyl acetate 65.76
    tert-butyl acetate 88.7
    decalin 3.59
    glycerin 204.58
    diglyme 289.53
    acrylic acid 190.41
    isopropyl myristate 37.61
    n-butyric acid 212.14
    acetyl acetate 154.42
    di(2-ethylhexyl) phthalate 61.5
    ethyl propionate 93.32
    nitromethane 662.5
    1,2-diethoxyethane 86.55
    benzonitrile 153.04
    trioctyl phosphate 41.79
    1-bromopropane 63.53
    gamma-valerolactone 785.27
    n-decanol 26.72
    triethyl phosphate 49.71
    4-methyl-2-pentanol 43.44
    propionitrile 118.28
    vinylene carbonate 338.3
    1,1,2-trichlorotrifluoroethane 384.05
    DMS 123.24
    cumene 23.7
    2-octanol 27.05
    2-hexanone 114.33
    octyl acetate 50.44
    limonene 22.75
    1,2-dimethoxyethane 399.06
    ethyl orthosilicate 42.78
    tributyl phosphate 48.23
    diacetone alcohol 155.22
    N,N-dimethylaniline 82.84
    acrylonitrile 199.77
    aniline 150.1
    1,3-propanediol 192.98
    bromobenzene 111.33
    dibromomethane 215.42
    1,1,2,2-tetrachloroethane 384.97
    2-methyl-cyclohexyl acetate 74.88
    tetrabutyl urea 72.29
    diisobutyl methanol 21.59
    2-phenylethanol 114.04
    styrene 46.69
    dioctyl adipate 67.53
    dimethyl sulfate 308.77
    ethyl butyrate 65.1
    methyl lactate 176.33
    butyl lactate 78.97
    diethyl carbonate 55.89
    propanediol butyl ether 125.39
    triethyl orthoformate 54.71
    p-tert-butyltoluene 17.67
    methyl 4-tert-butylbenzoate 103.54
    morpholine 517.82
    tert-butylamine 33.49
    n-dodecanol 19.24
    dimethoxymethane 481.58
    ethylene carbonate 271.37
    cyrene 218.64
    2-ethoxyethyl acetate 112.7
    2-ethylhexyl acetate 62.8
    1,2,4-trichlorobenzene 149.98
    4-methylpyridine 308.4
    dibutyl ether 27.28
    2,6-dimethyl-4-heptanol 21.59
    DEF 198.28
    dimethyl isosorbide 224.07
    tetrachloroethylene 212.81
    eugenol 125.41
    triacetin 123.72
    span 80 99.44
    1,4-butanediol 89.61
    1,1-dichloroethane 181.2
    2-methyl-1-pentanol 73.85
    methyl formate 394.69
    2-methyl-1-butanol 84.75
    n-decane 1.96
    butyronitrile 106.59
    3,7-dimethyl-1-octanol 37.51
    1-chlorooctane 14.11
    1-chlorotetradecane 5.9
    n-nonane 1.42
    undecane 1.49
    tert-butylcyclohexane 2.4
    cyclooctane 1.44
    cyclopentanol 180.95
    tetrahydropyran 266.93
    tert-amyl methyl ether 35.38
    2,5,8-trioxanonane 210.44
    1-hexene 9.27
    2-isopropoxyethanol 138.43
    2,2,2-trifluoroethanol 156.79
    methyl butyrate 136.51

    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