Coronopilin

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  • Identifiers

    CAS number
    2571-81-5

    Molecular formula
    C15H20O4

    SMILES
    C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 38.89%
    Woody 38.53%
    Spicy 33.46%
    Odorless 31.43%
    Burnt 29.91%
    Caramellic 28.26%
    Mint 28.19%
    Tobacco 25.75%
    Nutty 24.88%
    Camphoreous 24.42%

     

    Flavor
    Bitter 90.66%
    Cedarleaf 21.12%
    Fenugreek 20.12%
    Lovage 20.07%
    Sweet-like 19.8%
    Ripe apricot 19.79%
    Red fruit 19.45%
    Seedy 19.32%
    Leaves 19.28%
    Cotton candy 19.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.01 (neutral)

    Molecular weight
    264.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    655°C

    Flash point

    • 169.45 ˚C est.

  • Synonyms

    • Coronopilin
    • 2571-81-5
    • (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
    • (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno(8,7-b)furan-2,9-dione
    • RefChem:128060
    • (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-azuleno(8,7-b)furan-2,9-dione
    • Coronopolin
    • 1,2-Dihydroparthenin
    • NSC85242
    • (-)-coronopilin
    • MLS001164194
    • CHEBI:3888
    • CHEMBL248564
    • SCHEMBL8422737
    • DTXSID20874700
    • HMS2875K08
    • NSC-85242
    • AKOS015969697
    • NCGC00246200-01
    • NCI60_041874
    • SMR000539537
    • C09381
    • Q27106230
    • (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methyleneoctahydroazuleno[4,5-b]furan-2,9(9aH,9bH)-dione
    • (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione
    • Azuleno[4,9-dione, decahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-
    • 2571-81-5

  • Applications

    Coronopilin (CAS 2571-81-5) is commonly used as an odorant/fragrance ingredient in perfumery and personal care products; it is also employed as an organic synthesis intermediate to prepare specialty chemicals; it may be evaluated for industrial applications such as a fragrance additive in cleaning products and coatings, and as a precursor or additive in polymer formulations; in the inks and coatings sector, it can be considered as an aroma or fragrance additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.03
    methanol 234.58
    isopropanol 96.89
    water 2.76
    ethyl acetate 120.79
    n-propanol 67.67
    acetone 290.83
    n-butanol 75.61
    acetonitrile 103.09
    DMF 1006.54
    toluene 131.15
    isobutanol 55.57
    1,4-dioxane 409.02
    methyl acetate 152.0
    THF 705.67
    2-butanone 194.7
    n-pentanol 39.0
    sec-butanol 44.44
    n-hexane 0.8
    ethylene glycol 47.06
    NMP 549.09
    cyclohexane 3.62
    DMSO 572.2
    n-butyl acetate 65.9
    n-octanol 20.11
    chloroform 455.56
    n-propyl acetate 73.0
    acetic acid 155.64
    dichloromethane 403.61
    cyclohexanone 349.47
    propylene glycol 38.66
    isopropyl acetate 98.18
    DMAc 422.48
    2-ethoxyethanol 117.46
    isopentanol 71.35
    n-heptane 0.96
    ethyl formate 118.72
    1,2-dichloroethane 191.0
    n-hexanol 47.71
    2-methoxyethanol 301.51
    isobutyl acetate 53.95
    tetrachloromethane 45.81
    n-pentyl acetate 56.6
    transcutol 207.55
    n-heptanol 28.46
    ethylbenzene 41.17
    MIBK 101.51
    2-propoxyethanol 166.36
    tert-butanol 100.98
    MTBE 38.56
    2-butoxyethanol 82.54
    propionic acid 102.75
    o-xylene 66.16
    formic acid 147.6
    diethyl ether 42.08
    m-xylene 85.42
    p-xylene 63.72
    chlorobenzene 180.09
    dimethyl carbonate 159.93
    n-octane 0.68
    formamide 285.9
    cyclopentanone 596.04
    2-pentanone 150.18
    anisole 115.72
    cyclopentyl methyl ether 137.31
    gamma-butyrolactone 634.82
    1-methoxy-2-propanol 227.23
    pyridine 370.21
    3-pentanone 108.05
    furfural 538.27
    n-dodecane 0.96
    diethylene glycol 192.89
    diisopropyl ether 17.54
    tert-amyl alcohol 42.06
    acetylacetone 283.37
    n-hexadecane 1.2
    acetophenone 139.12
    methyl propionate 134.12
    isopentyl acetate 67.02
    trichloroethylene 515.0
    n-nonanol 21.81
    cyclohexanol 78.46
    benzyl alcohol 126.92
    2-ethylhexanol 24.73
    isooctanol 25.27
    dipropyl ether 21.08
    1,2-dichlorobenzene 148.39
    ethyl lactate 63.84
    propylene carbonate 261.43
    n-methylformamide 391.34
    2-pentanol 38.95
    n-pentane 1.12
    1-propoxy-2-propanol 88.68
    1-methoxy-2-propyl acetate 124.18
    2-(2-methoxypropoxy) propanol 83.34
    mesitylene 44.32
    ε-caprolactone 234.86
    p-cymene 23.59
    epichlorohydrin 528.44
    1,1,1-trichloroethane 160.89
    2-aminoethanol 66.87
    morpholine-4-carbaldehyde 581.1
    sulfolane 597.22
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 196.77
    n-hexyl acetate 66.06
    isooctane 1.57
    2-(2-butoxyethoxy)ethanol 93.11
    sec-butyl acetate 54.18
    tert-butyl acetate 99.39
    decalin 3.07
    glycerin 109.5
    diglyme 223.1
    acrylic acid 135.57
    isopropyl myristate 29.56
    n-butyric acid 138.19
    acetyl acetate 143.19
    di(2-ethylhexyl) phthalate 46.96
    ethyl propionate 71.56
    nitromethane 460.15
    1,2-diethoxyethane 58.46
    benzonitrile 172.78
    trioctyl phosphate 31.51
    1-bromopropane 51.12
    gamma-valerolactone 687.88
    n-decanol 16.0
    triethyl phosphate 39.82
    4-methyl-2-pentanol 32.91
    propionitrile 97.19
    vinylene carbonate 300.63
    1,1,2-trichlorotrifluoroethane 293.11
    DMS 111.56
    cumene 26.69
    2-octanol 17.64
    2-hexanone 78.35
    octyl acetate 37.36
    limonene 25.25
    1,2-dimethoxyethane 248.7
    ethyl orthosilicate 34.75
    tributyl phosphate 34.41
    diacetone alcohol 135.09
    N,N-dimethylaniline 76.65
    acrylonitrile 188.88
    aniline 160.24
    1,3-propanediol 123.85
    bromobenzene 179.94
    dibromomethane 177.37
    1,1,2,2-tetrachloroethane 328.05
    2-methyl-cyclohexyl acetate 60.09
    tetrabutyl urea 53.29
    diisobutyl methanol 21.48
    2-phenylethanol 108.8
    styrene 54.35
    dioctyl adipate 51.18
    dimethyl sulfate 296.95
    ethyl butyrate 55.28
    methyl lactate 122.59
    butyl lactate 55.02
    diethyl carbonate 46.58
    propanediol butyl ether 61.44
    triethyl orthoformate 42.45
    p-tert-butyltoluene 23.17
    methyl 4-tert-butylbenzoate 100.86
    morpholine 343.35
    tert-butylamine 33.64
    n-dodecanol 11.9
    dimethoxymethane 438.8
    ethylene carbonate 227.5
    cyrene 147.53
    2-ethoxyethyl acetate 96.45
    2-ethylhexyl acetate 50.39
    1,2,4-trichlorobenzene 172.9
    4-methylpyridine 334.44
    dibutyl ether 17.55
    2,6-dimethyl-4-heptanol 21.48
    DEF 156.71
    dimethyl isosorbide 182.71
    tetrachloroethylene 207.62
    eugenol 105.86
    triacetin 95.96
    span 80 65.19
    1,4-butanediol 43.94
    1,1-dichloroethane 168.41
    2-methyl-1-pentanol 36.95
    methyl formate 370.86
    2-methyl-1-butanol 48.27
    n-decane 1.55
    butyronitrile 88.41
    3,7-dimethyl-1-octanol 24.16
    1-chlorooctane 9.92
    1-chlorotetradecane 4.64
    n-nonane 1.07
    undecane 1.19
    tert-butylcyclohexane 2.3
    cyclooctane 1.39
    cyclopentanol 120.48
    tetrahydropyran 176.76
    tert-amyl methyl ether 27.8
    2,5,8-trioxanonane 147.24
    1-hexene 5.4
    2-isopropoxyethanol 77.64
    2,2,2-trifluoroethanol 113.7
    methyl butyrate 96.98

    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