Cumambrin B

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  • Identifiers

    CAS number
    21982-83-2

    Molecular formula
    C15H20O4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.36%
    Spicy 37.87%
    Sweet 36.06%
    Woody 29.71%
    Mint 26.39%
    Herbal 23.53%
    Nutty 23.34%
    Phenolic 20.16%
    Cooling 19.43%
    Burnt 18.43%

     

    Flavor
    Bitter 84.38%
    Minty 22.75%
    Cedarleaf 21.88%
    Lovage 20.01%
    Sweet-like 19.99%
    Basil 19.77%
    Leaves 19.57%
    Ripe apricot 19.47%
    Fenugreek 19.19%
    Red fruit 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.29 (neutral)

    Molecular weight
    264.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    818°C

    Flash point

    • 177.26 ˚C est.

  • Synonyms

    • Cumambrin B
    • (3aR,4S,6R,6aR,9aR,9bR)-4,6-dihydroxy-6,9-dimethyl-3-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
    • (3aR,4S,6R,6aR,9aR,9bR)-4,6-dihydroxy-6,9-dimethyl-3-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno(4,5-b)furan-2-one
    • RefChem:919266
    • 21982-83-2
    • CHEMBL191331
    • SCHEMBL31055363
    • 21982-83-2

  • Applications

    Cumambrin B (CAS 21982-83-2) is a fragrance ingredient evaluated for commercial applications in fragrance chemistry and cosmetics. It is commonly used as an aroma component and odor fixative in perfumes and personal care products, and may be included in household cleaning products to impart or adjust scent. It can also serve as an intermediate in fragrance synthesis or be used in applications involving plastics, paints and coatings to adjust the odor profile. In polymer and coatings/inks sectors, cumambrin B may function as a scent ingredient or odor-modulating additive. Its use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.0
    methanol 245.89
    isopropanol 101.4
    water 2.45
    ethyl acetate 52.42
    n-propanol 77.17
    acetone 137.85
    n-butanol 83.2
    acetonitrile 50.63
    DMF 397.46
    toluene 33.45
    isobutanol 65.77
    1,4-dioxane 189.17
    methyl acetate 67.37
    THF 357.84
    2-butanone 102.25
    n-pentanol 51.43
    sec-butanol 55.3
    n-hexane 0.67
    ethylene glycol 54.36
    NMP 203.37
    cyclohexane 2.17
    DMSO 351.86
    n-butyl acetate 45.46
    n-octanol 29.58
    chloroform 160.48
    n-propyl acetate 44.08
    acetic acid 84.92
    dichloromethane 125.31
    cyclohexanone 159.65
    propylene glycol 59.13
    isopropyl acetate 43.66
    DMAc 233.45
    2-ethoxyethanol 109.82
    isopentanol 74.94
    n-heptane 1.03
    ethyl formate 65.26
    1,2-dichloroethane 65.09
    n-hexanol 57.06
    2-methoxyethanol 228.9
    isobutyl acetate 37.8
    tetrachloromethane 15.53
    n-pentyl acetate 41.86
    transcutol 138.39
    n-heptanol 35.3
    ethylbenzene 16.79
    MIBK 59.23
    2-propoxyethanol 140.91
    tert-butanol 90.5
    MTBE 21.66
    2-butoxyethanol 79.89
    propionic acid 63.06
    o-xylene 22.65
    formic acid 90.32
    diethyl ether 23.44
    m-xylene 30.84
    p-xylene 25.56
    chlorobenzene 40.73
    dimethyl carbonate 59.15
    n-octane 0.84
    formamide 122.04
    cyclopentanone 218.85
    2-pentanone 79.8
    anisole 48.98
    cyclopentyl methyl ether 67.24
    gamma-butyrolactone 206.36
    1-methoxy-2-propanol 180.43
    pyridine 102.81
    3-pentanone 52.02
    furfural 180.85
    n-dodecane 1.15
    diethylene glycol 167.29
    diisopropyl ether 8.78
    tert-amyl alcohol 44.79
    acetylacetone 106.9
    n-hexadecane 1.36
    acetophenone 61.65
    methyl propionate 61.45
    isopentyl acetate 47.7
    trichloroethylene 144.53
    n-nonanol 28.34
    cyclohexanol 67.88
    benzyl alcohol 69.47
    2-ethylhexanol 27.48
    isooctanol 28.91
    dipropyl ether 16.1
    1,2-dichlorobenzene 41.31
    ethyl lactate 49.52
    propylene carbonate 103.27
    n-methylformamide 166.25
    2-pentanol 43.47
    n-pentane 0.8
    1-propoxy-2-propanol 77.93
    1-methoxy-2-propyl acetate 73.15
    2-(2-methoxypropoxy) propanol 72.09
    mesitylene 18.19
    ε-caprolactone 111.5
    p-cymene 14.58
    epichlorohydrin 190.57
    1,1,1-trichloroethane 47.01
    2-aminoethanol 76.98
    morpholine-4-carbaldehyde 231.41
    sulfolane 243.39
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 98.87
    n-hexyl acetate 50.63
    isooctane 1.07
    2-(2-butoxyethoxy)ethanol 85.97
    sec-butyl acetate 31.11
    tert-butyl acetate 45.6
    decalin 2.18
    glycerin 124.77
    diglyme 141.97
    acrylic acid 67.17
    isopropyl myristate 22.26
    n-butyric acid 86.88
    acetyl acetate 47.83
    di(2-ethylhexyl) phthalate 35.62
    ethyl propionate 39.5
    nitromethane 165.24
    1,2-diethoxyethane 39.92
    benzonitrile 70.86
    trioctyl phosphate 28.42
    1-bromopropane 24.54
    gamma-valerolactone 253.17
    n-decanol 21.25
    triethyl phosphate 26.07
    4-methyl-2-pentanol 32.31
    propionitrile 50.7
    vinylene carbonate 112.9
    1,1,2-trichlorotrifluoroethane 146.1
    DMS 52.02
    cumene 13.78
    2-octanol 23.29
    2-hexanone 53.45
    octyl acetate 30.09
    limonene 16.93
    1,2-dimethoxyethane 169.24
    ethyl orthosilicate 23.91
    tributyl phosphate 28.09
    diacetone alcohol 87.05
    N,N-dimethylaniline 36.84
    acrylonitrile 81.19
    aniline 54.96
    1,3-propanediol 117.86
    bromobenzene 35.54
    dibromomethane 60.4
    1,1,2,2-tetrachloroethane 111.01
    2-methyl-cyclohexyl acetate 40.54
    tetrabutyl urea 44.54
    diisobutyl methanol 18.28
    2-phenylethanol 65.91
    styrene 17.52
    dioctyl adipate 34.61
    dimethyl sulfate 106.39
    ethyl butyrate 33.88
    methyl lactate 78.79
    butyl lactate 46.81
    diethyl carbonate 27.44
    propanediol butyl ether 71.78
    triethyl orthoformate 29.54
    p-tert-butyltoluene 13.56
    methyl 4-tert-butylbenzoate 59.24
    morpholine 176.5
    tert-butylamine 26.62
    n-dodecanol 15.9
    dimethoxymethane 195.61
    ethylene carbonate 93.49
    cyrene 108.23
    2-ethoxyethyl acetate 56.51
    2-ethylhexyl acetate 36.66
    1,2,4-trichlorobenzene 52.26
    4-methylpyridine 96.87
    dibutyl ether 15.19
    2,6-dimethyl-4-heptanol 18.28
    DEF 79.54
    dimethyl isosorbide 113.22
    tetrachloroethylene 67.01
    eugenol 70.58
    triacetin 53.93
    span 80 59.23
    1,4-butanediol 59.32
    1,1-dichloroethane 56.62
    2-methyl-1-pentanol 44.28
    methyl formate 152.67
    2-methyl-1-butanol 55.4
    n-decane 1.81
    butyronitrile 55.77
    3,7-dimethyl-1-octanol 28.49
    1-chlorooctane 10.23
    1-chlorotetradecane 4.66
    n-nonane 1.36
    undecane 1.42
    tert-butylcyclohexane 1.67
    cyclooctane 1.08
    cyclopentanol 92.51
    tetrahydropyran 96.8
    tert-amyl methyl ether 19.03
    2,5,8-trioxanonane 108.86
    1-hexene 4.47
    2-isopropoxyethanol 77.03
    2,2,2-trifluoroethanol 56.82
    methyl butyrate 56.85

    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