Coronarin E

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  • Identifiers

    CAS number
    117591-81-8

    Molecular formula
    C20H28O

    SMILES
    C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2/C=C/C3=COC=C3)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 73.84%
    Amber 40.32%
    Dry 36.75%
    Spicy 35.52%
    Sweet 34.39%
    Green 32.72%
    Fatty 30.1%
    Cedar 29.54%
    Tobacco 29.07%
    Orris 28.85%

     

    Flavor
    Woody 62.33%
    Wood 43.47%
    Spice 36.76%
    Herbal 29.51%
    Herb 24.66%
    Spicy 23.48%
    Balsam 23.0%
    Sweet 22.89%
    Fresh 22.61%
    Balsamic 22.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.76 (neutral)

    Molecular weight
    284.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 147.93 ˚C est.

  • Synonyms

    • Coronarin E
    • 117591-81-8
    • 3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
    • 3-((E)-2-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethenyl)furan
    • RefChem:919068
    • Coranorin E
    • CHEMBL109252
    • orb1682895
    • HY-N3633
    • AKOS032948621
    • DA-52060
    • FS-10193
    • CS-0023969
    • F92924
    • 117591-81-8

  • Applications

    Coronarin E (CAS 117591-81-8) is used as an aroma chemical in fragrance applications and may function as an odorant or fixative in perfumery and cosmetics/personal care products; it can be incorporated into household products such as air fresheners and cleaners to enhance scent; in coatings and inks, it may be employed as a fragrance additive to impart or retain fragrance; in industrial manufacturing it may serve as an intermediate or building block in the synthesis of more complex aroma compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 426.17
    methanol 230.03
    isopropanol 402.31
    water 0.08
    ethyl acetate 714.08
    n-propanol 581.05
    acetone 603.98
    n-butanol 546.92
    acetonitrile 219.94
    DMF 654.8
    toluene 1521.53
    isobutanol 425.41
    1,4-dioxane 1227.43
    methyl acetate 410.55
    THF 2288.84
    2-butanone 705.03
    n-pentanol 239.67
    sec-butanol 351.04
    n-hexane 42.61
    ethylene glycol 16.39
    NMP 499.98
    cyclohexane 143.38
    DMSO 197.28
    n-butyl acetate 490.19
    n-octanol 91.82
    chloroform 1776.37
    n-propyl acetate 290.88
    acetic acid 131.73
    dichloromethane 1416.36
    cyclohexanone 929.0
    propylene glycol 49.48
    isopropyl acetate 568.03
    DMAc 546.88
    2-ethoxyethanol 318.92
    isopentanol 446.82
    n-heptane 38.91
    ethyl formate 217.77
    1,2-dichloroethane 922.73
    n-hexanol 341.85
    2-methoxyethanol 534.73
    isobutyl acetate 260.1
    tetrachloromethane 233.84
    n-pentyl acetate 278.14
    transcutol 2065.29
    n-heptanol 134.34
    ethylbenzene 303.86
    MIBK 497.0
    2-propoxyethanol 639.27
    tert-butanol 382.39
    MTBE 792.9
    2-butoxyethanol 304.01
    propionic acid 151.68
    o-xylene 434.07
    formic acid 33.89
    diethyl ether 1100.99
    m-xylene 696.92
    p-xylene 292.0
    chlorobenzene 825.58
    dimethyl carbonate 269.66
    n-octane 9.62
    formamide 74.04
    cyclopentanone 943.94
    2-pentanone 733.16
    anisole 568.99
    cyclopentyl methyl ether 1185.94
    gamma-butyrolactone 732.77
    1-methoxy-2-propanol 578.68
    pyridine 1260.83
    3-pentanone 567.87
    furfural 587.87
    n-dodecane 6.28
    diethylene glycol 235.58
    diisopropyl ether 302.64
    tert-amyl alcohol 289.59
    acetylacetone 614.12
    n-hexadecane 7.93
    acetophenone 368.55
    methyl propionate 571.3
    isopentyl acetate 504.92
    trichloroethylene 1663.42
    n-nonanol 96.29
    cyclohexanol 453.09
    benzyl alcohol 302.85
    2-ethylhexanol 199.11
    isooctanol 123.85
    dipropyl ether 411.74
    1,2-dichlorobenzene 583.41
    ethyl lactate 121.96
    propylene carbonate 387.35
    n-methylformamide 220.95
    2-pentanol 355.19
    n-pentane 82.32
    1-propoxy-2-propanol 475.16
    1-methoxy-2-propyl acetate 738.7
    2-(2-methoxypropoxy) propanol 309.95
    mesitylene 332.25
    ε-caprolactone 680.68
    p-cymene 165.49
    epichlorohydrin 1350.45
    1,1,1-trichloroethane 786.29
    2-aminoethanol 91.39
    morpholine-4-carbaldehyde 749.37
    sulfolane 485.71
    2,2,4-trimethylpentane 38.7
    2-methyltetrahydrofuran 1322.26
    n-hexyl acetate 320.57
    isooctane 39.99
    2-(2-butoxyethoxy)ethanol 482.26
    sec-butyl acetate 291.77
    tert-butyl acetate 587.56
    decalin 47.35
    glycerin 63.54
    diglyme 971.28
    acrylic acid 104.95
    isopropyl myristate 126.99
    n-butyric acid 396.7
    acetyl acetate 327.36
    di(2-ethylhexyl) phthalate 126.37
    ethyl propionate 305.4
    nitromethane 273.93
    1,2-diethoxyethane 783.06
    benzonitrile 406.47
    trioctyl phosphate 77.6
    1-bromopropane 774.3
    gamma-valerolactone 1156.81
    n-decanol 65.75
    triethyl phosphate 141.83
    4-methyl-2-pentanol 230.82
    propionitrile 387.22
    vinylene carbonate 358.6
    1,1,2-trichlorotrifluoroethane 459.39
    DMS 312.64
    cumene 170.77
    2-octanol 75.87
    2-hexanone 288.16
    octyl acetate 146.58
    limonene 216.96
    1,2-dimethoxyethane 628.6
    ethyl orthosilicate 161.2
    tributyl phosphate 101.44
    diacetone alcohol 419.15
    N,N-dimethylaniline 328.58
    acrylonitrile 333.49
    aniline 846.59
    1,3-propanediol 214.93
    bromobenzene 988.0
    dibromomethane 954.0
    1,1,2,2-tetrachloroethane 1160.52
    2-methyl-cyclohexyl acetate 271.14
    tetrabutyl urea 126.35
    diisobutyl methanol 128.04
    2-phenylethanol 378.97
    styrene 396.17
    dioctyl adipate 181.1
    dimethyl sulfate 236.35
    ethyl butyrate 340.71
    methyl lactate 177.07
    butyl lactate 192.81
    diethyl carbonate 201.2
    propanediol butyl ether 210.79
    triethyl orthoformate 285.94
    p-tert-butyltoluene 167.06
    methyl 4-tert-butylbenzoate 306.27
    morpholine 1562.79
    tert-butylamine 307.28
    n-dodecanol 47.55
    dimethoxymethane 1051.05
    ethylene carbonate 352.21
    cyrene 236.42
    2-ethoxyethyl acetate 519.67
    2-ethylhexyl acetate 410.25
    1,2,4-trichlorobenzene 632.95
    4-methylpyridine 1271.55
    dibutyl ether 203.57
    2,6-dimethyl-4-heptanol 128.04
    DEF 586.15
    dimethyl isosorbide 605.42
    tetrachloroethylene 664.57
    eugenol 269.27
    triacetin 330.03
    span 80 227.28
    1,4-butanediol 57.82
    1,1-dichloroethane 881.66
    2-methyl-1-pentanol 238.06
    methyl formate 155.43
    2-methyl-1-butanol 430.63
    n-decane 13.86
    butyronitrile 452.01
    3,7-dimethyl-1-octanol 143.06
    1-chlorooctane 91.9
    1-chlorotetradecane 30.52
    n-nonane 12.13
    undecane 8.86
    tert-butylcyclohexane 42.21
    cyclooctane 49.55
    cyclopentanol 337.41
    tetrahydropyran 1749.77
    tert-amyl methyl ether 473.02
    2,5,8-trioxanonane 566.35
    1-hexene 182.57
    2-isopropoxyethanol 257.67
    2,2,2-trifluoroethanol 53.46
    methyl butyrate 321.84

    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