Eremopetasinorone A

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  • Identifiers

    CAS number
    182127-76-0

    Molecular formula
    C13H18O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.24%
    Mint 42.35%
    Fruity 36.7%
    Camphoreous 32.14%
    Tobacco 31.55%
    Floral 30.19%
    Herbal 29.76%
    Cedar 28.67%
    Dry 27.68%
    Spicy 26.59%

     

    Flavor
    Minty 46.04%
    Sweet 28.47%
    Bitter 24.78%
    Mint 24.37%
    Maple 23.59%
    Coumarin 22.24%
    Basil 22.03%
    Tobacco 22.01%
    Fenugreek 21.79%
    Leaves 21.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.15 (weak base)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 143.17 ˚C est.

  • Synonyms

    • Eremopetasinorone A
    • CHEBI:168727
    • DTXSID801145916
    • 182127-76-0
    • (3aR,4R,7aR)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1H-inden-5-one
    • (3aR,4R,7aR)-2-Acetyl-1,3a,4,6,7,7a-hexahydro-3a,4-dimethyl-5H-inden-5-one
    • (3aR,4R,7aR)-2-Acetyl-3a,4-dimethyl-1,3a,4,6,7,7a-hexahydro-5H-inden-5-one
    • 182127-76-0

  • Applications

    Eremopetasinorone A (CAS 182127-76-0) is a specialized organic compound that is evaluated for several practical applications across industries. In industrial and synthetic chemistry, it may serve as an intermediate for preparing more complex molecules. In cosmetics and personal care as well as perfumery, it could be examined as a fragrance component or odor carrier. In polymers and coatings, it may function as a processing aid, stabilizer, or compatibility additive for polymer and coating formulations. In cleaning and household products, it could be used as a solvent or solvent-related additive. It might also be evaluated as an intermediate in agrochemical or pharmaceutical syntheses, depending on regulatory status and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 200.76
    methanol 307.08
    isopropanol 207.02
    water 5.54
    ethyl acetate 279.24
    n-propanol 179.5
    acetone 373.69
    n-butanol 145.5
    acetonitrile 421.63
    DMF 622.99
    toluene 350.3
    isobutanol 134.41
    1,4-dioxane 705.32
    methyl acetate 344.44
    THF 547.65
    2-butanone 315.64
    n-pentanol 71.9
    sec-butanol 119.93
    n-hexane 4.07
    ethylene glycol 81.35
    NMP 270.06
    cyclohexane 18.81
    DMSO 299.9
    n-butyl acetate 137.55
    n-octanol 53.36
    chloroform 987.25
    n-propyl acetate 126.18
    acetic acid 163.66
    dichloromethane 779.43
    cyclohexanone 376.6
    propylene glycol 80.08
    isopropyl acetate 165.37
    DMAc 358.61
    2-ethoxyethanol 174.62
    isopentanol 130.24
    n-heptane 3.75
    ethyl formate 191.19
    1,2-dichloroethane 391.21
    n-hexanol 107.3
    2-methoxyethanol 381.8
    isobutyl acetate 87.56
    tetrachloromethane 133.98
    n-pentyl acetate 98.16
    transcutol 540.89
    n-heptanol 57.85
    ethylbenzene 132.21
    MIBK 140.11
    2-propoxyethanol 263.93
    tert-butanol 215.23
    MTBE 135.23
    2-butoxyethanol 139.64
    propionic acid 163.8
    o-xylene 196.13
    formic acid 115.13
    diethyl ether 152.55
    m-xylene 214.62
    p-xylene 201.35
    chlorobenzene 338.2
    dimethyl carbonate 149.61
    n-octane 2.89
    formamide 255.74
    cyclopentanone 410.68
    2-pentanone 204.38
    anisole 270.17
    cyclopentyl methyl ether 156.08
    gamma-butyrolactone 439.49
    1-methoxy-2-propanol 273.94
    pyridine 559.05
    3-pentanone 177.22
    furfural 475.38
    n-dodecane 3.41
    diethylene glycol 257.37
    diisopropyl ether 45.8
    tert-amyl alcohol 122.22
    acetylacetone 304.05
    n-hexadecane 4.09
    acetophenone 223.65
    methyl propionate 222.95
    isopentyl acetate 137.87
    trichloroethylene 788.61
    n-nonanol 50.16
    cyclohexanol 141.87
    benzyl alcohol 207.35
    2-ethylhexanol 56.82
    isooctanol 50.03
    dipropyl ether 50.25
    1,2-dichlorobenzene 270.61
    ethyl lactate 78.71
    propylene carbonate 241.25
    n-methylformamide 345.0
    2-pentanol 82.67
    n-pentane 6.39
    1-propoxy-2-propanol 150.6
    1-methoxy-2-propyl acetate 195.16
    2-(2-methoxypropoxy) propanol 142.12
    mesitylene 107.46
    ε-caprolactone 294.43
    p-cymene 56.6
    epichlorohydrin 519.64
    1,1,1-trichloroethane 409.86
    2-aminoethanol 141.09
    morpholine-4-carbaldehyde 492.1
    sulfolane 320.71
    2,2,4-trimethylpentane 5.63
    2-methyltetrahydrofuran 272.94
    n-hexyl acetate 128.93
    isooctane 5.75
    2-(2-butoxyethoxy)ethanol 184.71
    sec-butyl acetate 98.81
    tert-butyl acetate 152.28
    decalin 12.19
    glycerin 140.73
    diglyme 365.44
    acrylic acid 161.49
    isopropyl myristate 52.71
    n-butyric acid 187.47
    acetyl acetate 198.22
    di(2-ethylhexyl) phthalate 68.9
    ethyl propionate 120.99
    nitromethane 460.45
    1,2-diethoxyethane 158.8
    benzonitrile 312.34
    trioctyl phosphate 43.83
    1-bromopropane 167.25
    gamma-valerolactone 559.38
    n-decanol 36.7
    triethyl phosphate 59.06
    4-methyl-2-pentanol 64.39
    propionitrile 287.43
    vinylene carbonate 297.57
    1,1,2-trichlorotrifluoroethane 296.39
    DMS 179.04
    cumene 78.85
    2-octanol 39.89
    2-hexanone 116.74
    octyl acetate 64.63
    limonene 56.75
    1,2-dimethoxyethane 300.02
    ethyl orthosilicate 55.11
    tributyl phosphate 52.65
    diacetone alcohol 179.14
    N,N-dimethylaniline 149.74
    acrylonitrile 411.41
    aniline 351.25
    1,3-propanediol 202.78
    bromobenzene 340.32
    dibromomethane 432.94
    1,1,2,2-tetrachloroethane 563.08
    2-methyl-cyclohexyl acetate 93.91
    tetrabutyl urea 65.09
    diisobutyl methanol 43.6
    2-phenylethanol 198.22
    styrene 162.3
    dioctyl adipate 75.07
    dimethyl sulfate 210.26
    ethyl butyrate 95.71
    methyl lactate 133.66
    butyl lactate 87.54
    diethyl carbonate 82.33
    propanediol butyl ether 128.61
    triethyl orthoformate 69.91
    p-tert-butyltoluene 55.96
    methyl 4-tert-butylbenzoate 144.41
    morpholine 574.43
    tert-butylamine 115.23
    n-dodecanol 27.22
    dimethoxymethane 354.93
    ethylene carbonate 235.4
    cyrene 148.45
    2-ethoxyethyl acetate 174.69
    2-ethylhexyl acetate 101.45
    1,2,4-trichlorobenzene 307.6
    4-methylpyridine 562.69
    dibutyl ether 47.77
    2,6-dimethyl-4-heptanol 43.6
    DEF 178.47
    dimethyl isosorbide 232.22
    tetrachloroethylene 378.88
    eugenol 157.98
    triacetin 151.83
    span 80 104.74
    1,4-butanediol 69.1
    1,1-dichloroethane 442.68
    2-methyl-1-pentanol 71.85
    methyl formate 286.32
    2-methyl-1-butanol 104.56
    n-decane 5.6
    butyronitrile 207.91
    3,7-dimethyl-1-octanol 57.3
    1-chlorooctane 31.45
    1-chlorotetradecane 13.12
    n-nonane 4.56
    undecane 4.27
    tert-butylcyclohexane 10.87
    cyclooctane 5.92
    cyclopentanol 147.94
    tetrahydropyran 356.85
    tert-amyl methyl ether 80.46
    2,5,8-trioxanonane 236.25
    1-hexene 23.86
    2-isopropoxyethanol 127.58
    2,2,2-trifluoroethanol 130.27
    methyl butyrate 144.77

    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