1,10-Epoxygermacrone

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  • Identifiers

    CAS number
    52061-45-7

    Molecular formula
    C15H22O2

    SMILES
    C/C/1=C/CC(=C(C)C)C(=O)CC2(C(O2)CC1)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 73.08%
    Herbal 72.98%
    Fresh 47.93%
    Camphoreous 45.95%
    Woody 42.81%
    Sweet 40.88%
    Spicy 40.11%
    Tobacco 39.68%
    Citrus 36.54%
    Celery 35.4%

     

    Flavor
    Minty 59.45%
    Herbal 47.88%
    Fresh 36.82%
    Mint 33.84%
    Spicy 33.6%
    Spice 31.83%
    Woody 27.27%
    Celery 27.07%
    Phenolic 25.25%
    Spearmint 22.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.22 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Flash point

    • 141.41 ˚C est.

  • Synonyms

    • 1,10-epoxygermacrone
    • 52061-45-7
    • (6Z)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
    • CHEBI:196138
    • DTXSID201145437
    • (6Z)-1,7-DIMETHYL-4-(PROPAN-2-YLIDENE)-11-OXABICYCLO[8.1.0]UNDEC-6-EN-3-ONE
    • 11-Oxabicyclo[8.1.0]undec-6-en-3-one, 1,7-dimethyl-4-(1-methylethylidene)-
    • 52061-45-7

  • Applications

    1,10-Epoxygermacrone (CAS 52061-45-7) is mainly used as an intermediate and fragrance ingredient in fragrance chemistry and cosmetics applications, serving as a building block for the synthesis of other aroma compounds. In practice, it functions as a fragrance component in perfumery and personal care; is incorporated into cosmetic and personal care formulations to impart scent; may be used in household care products to provide fragrance; acts as a starting material for the synthesis of aroma derivatives in industrial manufacturing; and can be used as a fragrance additive in polymer systems or coatings and inks. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.85
    methanol 136.28
    isopropanol 105.31
    water 0.57
    ethyl acetate 108.1
    n-propanol 110.84
    acetone 111.5
    n-butanol 112.47
    acetonitrile 100.91
    DMF 138.62
    toluene 122.05
    isobutanol 88.68
    1,4-dioxane 330.22
    methyl acetate 119.88
    THF 355.06
    2-butanone 130.84
    n-pentanol 92.84
    sec-butanol 98.74
    n-hexane 9.36
    ethylene glycol 29.57
    NMP 165.74
    cyclohexane 24.33
    DMSO 93.51
    n-butyl acetate 111.03
    n-octanol 61.0
    chloroform 444.32
    n-propyl acetate 94.7
    acetic acid 100.54
    dichloromethane 302.59
    cyclohexanone 184.01
    propylene glycol 58.62
    isopropyl acetate 77.85
    DMAc 180.26
    2-ethoxyethanol 126.12
    isopentanol 101.06
    n-heptane 9.79
    ethyl formate 81.12
    1,2-dichloroethane 133.88
    n-hexanol 112.88
    2-methoxyethanol 171.02
    isobutyl acetate 83.07
    tetrachloromethane 50.74
    n-pentyl acetate 79.34
    transcutol 386.18
    n-heptanol 60.21
    ethylbenzene 74.11
    MIBK 79.76
    2-propoxyethanol 186.34
    tert-butanol 117.48
    MTBE 98.33
    2-butoxyethanol 117.4
    propionic acid 82.2
    o-xylene 74.13
    formic acid 37.61
    diethyl ether 86.94
    m-xylene 77.91
    p-xylene 104.23
    chlorobenzene 125.68
    dimethyl carbonate 47.27
    n-octane 5.03
    formamide 59.21
    cyclopentanone 188.44
    2-pentanone 94.28
    anisole 135.43
    cyclopentyl methyl ether 121.33
    gamma-butyrolactone 173.15
    1-methoxy-2-propanol 144.67
    pyridine 230.59
    3-pentanone 80.77
    furfural 184.31
    n-dodecane 6.3
    diethylene glycol 145.28
    diisopropyl ether 34.21
    tert-amyl alcohol 98.25
    acetylacetone 109.61
    n-hexadecane 7.25
    acetophenone 125.32
    methyl propionate 86.03
    isopentyl acetate 115.32
    trichloroethylene 277.9
    n-nonanol 60.19
    cyclohexanol 110.33
    benzyl alcohol 122.67
    2-ethylhexanol 74.79
    isooctanol 52.17
    dipropyl ether 64.0
    1,2-dichlorobenzene 108.6
    ethyl lactate 61.9
    propylene carbonate 123.43
    n-methylformamide 72.17
    2-pentanol 73.55
    n-pentane 9.7
    1-propoxy-2-propanol 140.68
    1-methoxy-2-propyl acetate 127.65
    2-(2-methoxypropoxy) propanol 128.44
    mesitylene 46.3
    ε-caprolactone 169.15
    p-cymene 46.78
    epichlorohydrin 221.46
    1,1,1-trichloroethane 147.16
    2-aminoethanol 65.91
    morpholine-4-carbaldehyde 219.97
    sulfolane 142.14
    2,2,4-trimethylpentane 8.63
    2-methyltetrahydrofuran 212.66
    n-hexyl acetate 110.0
    isooctane 6.87
    2-(2-butoxyethoxy)ethanol 163.12
    sec-butyl acetate 78.01
    tert-butyl acetate 81.41
    decalin 17.61
    glycerin 72.9
    diglyme 248.88
    acrylic acid 69.14
    isopropyl myristate 53.78
    n-butyric acid 105.65
    acetyl acetate 86.54
    di(2-ethylhexyl) phthalate 66.77
    ethyl propionate 78.85
    nitromethane 121.77
    1,2-diethoxyethane 139.9
    benzonitrile 135.16
    trioctyl phosphate 44.38
    1-bromopropane 92.16
    gamma-valerolactone 255.45
    n-decanol 47.19
    triethyl phosphate 57.55
    4-methyl-2-pentanol 57.62
    propionitrile 97.19
    vinylene carbonate 125.75
    1,1,2-trichlorotrifluoroethane 168.44
    DMS 101.46
    cumene 51.07
    2-octanol 42.84
    2-hexanone 104.97
    octyl acetate 66.06
    limonene 57.5
    1,2-dimethoxyethane 217.24
    ethyl orthosilicate 57.76
    tributyl phosphate 51.87
    diacetone alcohol 98.02
    N,N-dimethylaniline 89.19
    acrylonitrile 103.9
    aniline 116.72
    1,3-propanediol 99.25
    bromobenzene 133.6
    dibromomethane 194.71
    1,1,2,2-tetrachloroethane 221.28
    2-methyl-cyclohexyl acetate 101.6
    tetrabutyl urea 65.86
    diisobutyl methanol 44.6
    2-phenylethanol 134.24
    styrene 83.75
    dioctyl adipate 75.88
    dimethyl sulfate 52.95
    ethyl butyrate 86.85
    methyl lactate 60.83
    butyl lactate 79.17
    diethyl carbonate 71.18
    propanediol butyl ether 118.49
    triethyl orthoformate 76.09
    p-tert-butyltoluene 43.23
    methyl 4-tert-butylbenzoate 96.29
    morpholine 319.3
    tert-butylamine 75.05
    n-dodecanol 36.84
    dimethoxymethane 123.05
    ethylene carbonate 109.09
    cyrene 131.81
    2-ethoxyethyl acetate 116.79
    2-ethylhexyl acetate 96.69
    1,2,4-trichlorobenzene 135.85
    4-methylpyridine 216.49
    dibutyl ether 60.62
    2,6-dimethyl-4-heptanol 44.6
    DEF 98.12
    dimethyl isosorbide 194.74
    tetrachloroethylene 143.94
    eugenol 102.85
    triacetin 114.66
    span 80 118.99
    1,4-butanediol 52.07
    1,1-dichloroethane 146.18
    2-methyl-1-pentanol 95.89
    methyl formate 58.44
    2-methyl-1-butanol 92.3
    n-decane 9.34
    butyronitrile 105.37
    3,7-dimethyl-1-octanol 66.63
    1-chlorooctane 37.72
    1-chlorotetradecane 18.91
    n-nonane 7.68
    undecane 7.41
    tert-butylcyclohexane 15.06
    cyclooctane 8.7
    cyclopentanol 105.54
    tetrahydropyran 238.71
    tert-amyl methyl ether 74.03
    2,5,8-trioxanonane 188.72
    1-hexene 41.21
    2-isopropoxyethanol 106.7
    2,2,2-trifluoroethanol 40.35
    methyl butyrate 99.64

    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