Epoxyeremopetasinorol

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  • Identifiers

    CAS number
    182127-78-2

    Molecular formula
    C13H20O3

    SMILES
    C[C@H]1[C@H](CC[C@H]2[C@@]1([C@@H]3[C@](C2)(O3)C(=O)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.72%
    Mint 33.07%
    Odorless 31.88%
    Sweet 28.93%
    Cooling 28.54%
    Camphoreous 25.15%
    Spicy 24.4%
    Earthy 24.18%
    Floral 23.46%
    Herbal 23.2%

     

    Flavor
    Bitter 59.54%
    Minty 32.37%
    Fruity 29.87%
    Fatty 26.75%
    Cedarleaf 22.52%
    Fruit 22.18%
    Sweet-like 21.26%
    Ripe apricot 20.68%
    Beet 20.66%
    Herbal 20.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    358°C

    Flash point

    • 124.49 ˚C est.

  • Synonyms

    • Epoxyeremopetasinorol
    • CHEBI:172463
    • DTXSID501112510
    • 182127-78-2
    • 1-[(1aR,1bS,2R,3S,5aR,6aS)-3-hydroxy-1b,2-dimethyl-2,3,4,5,5a,6-hexahydro-1aH-indeno[1,2-b]oxiren-6a-yl]ethanone
    • 1-[(1aR,1bS,2R,3S,5aR,6aS)-3-Hydroxy-1b,2-dimethyloctahydro-6aH-indeno[1,2-b]oxiren-6a-yl]ethan-1-one
    • Ethanone, 1-[(1aR,1bS,2R,3S,6aR,7aS)-octahydro-3-hydroxy-1b,2-dimethyl-6aH-indeno[1,2-b]oxiren-6a-yl]-
    • 182127-78-2

  • Applications

    Epoxyeremopetasinorol is primarily used as an intermediate in organic synthesis and as a reactive epoxy component (crosslinking agent or reactive diluent) in epoxy resin systems for coatings, adhesives, and composite materials; it is also explored as a building block for specialty chemicals in research and development, and has potential in electronics packaging and encapsulation due to the adhesive and dielectric performance of epoxy systems; in the research context, it is commonly evaluated as a precursor for the synthesis of epoxy derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.63
    methanol 194.44
    isopropanol 67.6
    water 6.63
    ethyl acetate 81.32
    n-propanol 62.95
    acetone 148.62
    n-butanol 53.93
    acetonitrile 130.48
    DMF 248.28
    toluene 63.91
    isobutanol 44.4
    1,4-dioxane 223.95
    methyl acetate 102.39
    THF 256.88
    2-butanone 98.55
    n-pentanol 29.99
    sec-butanol 35.17
    n-hexane 0.95
    ethylene glycol 56.51
    NMP 94.22
    cyclohexane 4.91
    DMSO 214.55
    n-butyl acetate 52.42
    n-octanol 21.07
    chloroform 253.21
    n-propyl acetate 49.19
    acetic acid 95.23
    dichloromethane 197.85
    cyclohexanone 118.98
    propylene glycol 32.23
    isopropyl acetate 67.36
    DMAc 144.84
    2-ethoxyethanol 102.68
    isopentanol 52.0
    n-heptane 1.58
    ethyl formate 74.4
    1,2-dichloroethane 110.95
    n-hexanol 39.07
    2-methoxyethanol 202.38
    isobutyl acetate 41.56
    tetrachloromethane 43.65
    n-pentyl acetate 41.46
    transcutol 204.48
    n-heptanol 28.76
    ethylbenzene 29.95
    MIBK 68.72
    2-propoxyethanol 125.84
    tert-butanol 76.65
    MTBE 48.31
    2-butoxyethanol 75.67
    propionic acid 59.58
    o-xylene 43.89
    formic acid 110.36
    diethyl ether 47.91
    m-xylene 47.06
    p-xylene 47.33
    chlorobenzene 79.38
    dimethyl carbonate 69.02
    n-octane 1.0
    formamide 188.48
    cyclopentanone 173.69
    2-pentanone 75.75
    anisole 79.33
    cyclopentyl methyl ether 60.81
    gamma-butyrolactone 171.78
    1-methoxy-2-propanol 122.64
    pyridine 162.66
    3-pentanone 59.26
    furfural 183.24
    n-dodecane 1.31
    diethylene glycol 158.09
    diisopropyl ether 18.53
    tert-amyl alcohol 38.66
    acetylacetone 139.76
    n-hexadecane 1.59
    acetophenone 78.85
    methyl propionate 72.1
    isopentyl acetate 56.46
    trichloroethylene 216.69
    n-nonanol 22.41
    cyclohexanol 41.3
    benzyl alcohol 72.01
    2-ethylhexanol 23.14
    isooctanol 25.82
    dipropyl ether 20.95
    1,2-dichlorobenzene 74.16
    ethyl lactate 40.24
    propylene carbonate 84.93
    n-methylformamide 151.53
    2-pentanol 27.77
    n-pentane 1.74
    1-propoxy-2-propanol 70.89
    1-methoxy-2-propyl acetate 86.93
    2-(2-methoxypropoxy) propanol 70.48
    mesitylene 29.57
    ε-caprolactone 88.74
    p-cymene 21.47
    epichlorohydrin 194.34
    1,1,1-trichloroethane 110.12
    2-aminoethanol 68.8
    morpholine-4-carbaldehyde 172.06
    sulfolane 154.78
    2,2,4-trimethylpentane 1.78
    2-methyltetrahydrofuran 87.9
    n-hexyl acetate 47.89
    isooctane 2.08
    2-(2-butoxyethoxy)ethanol 85.54
    sec-butyl acetate 40.07
    tert-butyl acetate 70.05
    decalin 3.54
    glycerin 74.58
    diglyme 182.18
    acrylic acid 67.31
    isopropyl myristate 23.64
    n-butyric acid 71.72
    acetyl acetate 86.81
    di(2-ethylhexyl) phthalate 31.64
    ethyl propionate 46.91
    nitromethane 232.01
    1,2-diethoxyethane 61.46
    benzonitrile 103.12
    trioctyl phosphate 21.68
    1-bromopropane 36.03
    gamma-valerolactone 208.33
    n-decanol 16.69
    triethyl phosphate 28.79
    4-methyl-2-pentanol 28.73
    propionitrile 89.87
    vinylene carbonate 104.48
    1,1,2-trichlorotrifluoroethane 138.4
    DMS 65.36
    cumene 22.67
    2-octanol 16.95
    2-hexanone 50.35
    octyl acetate 27.87
    limonene 21.35
    1,2-dimethoxyethane 178.5
    ethyl orthosilicate 27.67
    tributyl phosphate 23.27
    diacetone alcohol 80.66
    N,N-dimethylaniline 47.28
    acrylonitrile 135.32
    aniline 81.23
    1,3-propanediol 101.57
    bromobenzene 77.75
    dibromomethane 100.56
    1,1,2,2-tetrachloroethane 150.2
    2-methyl-cyclohexyl acetate 44.66
    tetrabutyl urea 31.58
    diisobutyl methanol 20.62
    2-phenylethanol 73.36
    styrene 33.37
    dioctyl adipate 32.27
    dimethyl sulfate 99.2
    ethyl butyrate 39.62
    methyl lactate 59.98
    butyl lactate 39.52
    diethyl carbonate 35.81
    propanediol butyl ether 56.84
    triethyl orthoformate 34.57
    p-tert-butyltoluene 20.96
    methyl 4-tert-butylbenzoate 65.05
    morpholine 171.98
    tert-butylamine 37.18
    n-dodecanol 12.58
    dimethoxymethane 181.5
    ethylene carbonate 89.16
    cyrene 76.19
    2-ethoxyethyl acetate 71.91
    2-ethylhexyl acetate 41.25
    1,2,4-trichlorobenzene 82.31
    4-methylpyridine 132.89
    dibutyl ether 18.15
    2,6-dimethyl-4-heptanol 20.62
    DEF 64.44
    dimethyl isosorbide 109.15
    tetrachloroethylene 112.81
    eugenol 69.85
    triacetin 67.58
    span 80 46.13
    1,4-butanediol 40.55
    1,1-dichloroethane 101.54
    2-methyl-1-pentanol 28.77
    methyl formate 133.38
    2-methyl-1-butanol 35.31
    n-decane 2.13
    butyronitrile 71.01
    3,7-dimethyl-1-octanol 25.48
    1-chlorooctane 11.31
    1-chlorotetradecane 5.42
    n-nonane 1.54
    undecane 1.63
    tert-butylcyclohexane 3.09
    cyclooctane 1.94
    cyclopentanol 52.06
    tetrahydropyran 102.27
    tert-amyl methyl ether 28.23
    2,5,8-trioxanonane 119.69
    1-hexene 5.48
    2-isopropoxyethanol 70.34
    2,2,2-trifluoroethanol 77.97
    methyl butyrate 58.18

    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