Ethyl 3-(4-methoxyphenyl)-3-methyloxirane-2-carboxylate

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C13H16O4

    SMILES
    CCOC(=O)C1C(O1)(C)C2=CC=C(C=C2)OC

  • Odor profile

    Fruity 87.39%
    Floral 71.63%
    Sweet 64.33%
    Berry 53.19%
    Powdery 37.0%
    Grape 34.29%
    Raspberry 33.51%
    Strawberry 31.79%
    Cherry 31.39%
    Vanilla 30.27%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    236.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point est.
    131.48 ˚C

  • Synonyms

    • SCHEMBL16109050
    • AKOS015257957

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 129.6
    methanol 217.37
    isopropanol 80.1
    water 0.54
    ethyl acetate 157.85
    n-propanol 83.7
    acetone 167.18
    n-butanol 67.51
    acetonitrile 152.88
    DMF 159.01
    toluene 53.46
    isobutanol 51.78
    1,4-dioxane 380.48
    methyl acetate 150.56
    THF 323.75
    2-butanone 111.77
    n-pentanol 52.5
    sec-butanol 59.83
    n-hexane 1.65
    ethylene glycol 78.61
    NMP 117.35
    cyclohexane 7.42
    DMSO 226.16
    n-butyl acetate 64.25
    n-octanol 15.34
    chloroform 443.83
    n-propyl acetate 77.74
    acetic acid 211.96
    dichloromethane 506.14
    cyclohexanone 152.44
    propylene glycol 54.0
    isopropyl acetate 89.69
    DMAc 191.03
    2-ethoxyethanol 194.27
    isopentanol 60.68
    n-heptane 1.86
    ethyl formate 81.13
    1,2-dichloroethane 260.07
    n-hexanol 40.36
    2-methoxyethanol 360.16
    isobutyl acetate 58.33
    tetrachloromethane 29.41
    n-pentyl acetate 34.2
    transcutol 308.6
    n-heptanol 19.97
    ethylbenzene 28.75
    MIBK 67.98
    2-propoxyethanol 136.75
    tert-butanol 131.33
    MTBE 85.17
    2-butoxyethanol 62.55
    propionic acid 82.47
    o-xylene 33.32
    formic acid 148.84
    diethyl ether 110.85
    m-xylene 34.4
    p-xylene 42.62
    chlorobenzene 95.89
    dimethyl carbonate 77.3
    n-octane 1.11
    formamide 266.31
    cyclopentanone 155.92
    2-pentanone 87.81
    anisole 90.52
    cyclopentyl methyl ether 93.77
    gamma-butyrolactone 194.16
    1-methoxy-2-propanol 177.11
    pyridine 190.23
    3-pentanone 75.44
    furfural 223.29
    n-dodecane 1.76
    diethylene glycol 172.02
    diisopropyl ether 25.96
    tert-amyl alcohol 77.82
    acetylacetone 165.22
    n-hexadecane 2.08
    acetophenone 90.75
    methyl propionate 106.17
    isopentyl acetate 65.03
    trichloroethylene 440.62
    n-nonanol 17.82
    cyclohexanol 69.78
    benzyl alcohol 84.26
    2-ethylhexanol 26.35
    isooctanol 18.6
    dipropyl ether 30.44
    1,2-dichlorobenzene 87.89
    ethyl lactate 49.42
    propylene carbonate 108.81
    n-methylformamide 111.59
    2-pentanol 41.15
    n-pentane 1.84
    1-propoxy-2-propanol 74.9
    1-methoxy-2-propyl acetate 95.3
    2-(2-methoxypropoxy) propanol 85.92
    mesitylene 20.83
    ε-caprolactone 130.58
    p-cymene 18.29
    epichlorohydrin 313.73
    1,1,1-trichloroethane 158.11
    2-aminoethanol 99.0
    morpholine-4-carbaldehyde 229.12
    sulfolane 177.77
    2,2,4-trimethylpentane 2.66
    2-methyltetrahydrofuran 160.16
    n-hexyl acetate 43.83
    isooctane 2.0
    2-(2-butoxyethoxy)ethanol 103.31
    sec-butyl acetate 59.66
    tert-butyl acetate 96.52
    decalin 5.28
    glycerin 111.77
    diglyme 209.16
    acrylic acid 90.57
    isopropyl myristate 24.99
    n-butyric acid 106.36
    acetyl acetate 130.65
    di(2-ethylhexyl) phthalate 32.42
    ethyl propionate 69.26
    nitromethane 350.12
    1,2-diethoxyethane 94.08
    benzonitrile 87.37
    trioctyl phosphate 18.58
    1-bromopropane 74.01
    gamma-valerolactone 248.85
    n-decanol 14.74
    triethyl phosphate 41.49
    4-methyl-2-pentanol 29.37
    propionitrile 92.11
    vinylene carbonate 118.17
    1,1,2-trichlorotrifluoroethane 194.12
    DMS 83.72
    cumene 20.73
    2-octanol 12.27
    2-hexanone 64.51
    octyl acetate 28.28
    limonene 23.11
    1,2-dimethoxyethane 265.63
    ethyl orthosilicate 38.59
    tributyl phosphate 25.61
    diacetone alcohol 107.3
    N,N-dimethylaniline 53.5
    acrylonitrile 126.54
    aniline 81.06
    1,3-propanediol 158.37
    bromobenzene 101.18
    dibromomethane 240.47
    1,1,2,2-tetrachloroethane 278.36
    2-methyl-cyclohexyl acetate 57.87
    tetrabutyl urea 33.88
    diisobutyl methanol 20.11
    2-phenylethanol 66.34
    styrene 38.96
    dioctyl adipate 41.81
    dimethyl sulfate 104.38
    ethyl butyrate 57.41
    methyl lactate 64.47
    butyl lactate 31.81
    diethyl carbonate 53.35
    propanediol butyl ether 47.83
    triethyl orthoformate 47.58
    p-tert-butyltoluene 17.05
    methyl 4-tert-butylbenzoate 65.57
    morpholine 334.71
    tert-butylamine 54.65
    n-dodecanol 12.37
    dimethoxymethane 218.82
    ethylene carbonate 101.08
    cyrene 98.04
    2-ethoxyethyl acetate 74.91
    2-ethylhexyl acetate 50.99
    1,2,4-trichlorobenzene 103.68
    4-methylpyridine 130.56
    dibutyl ether 25.08
    2,6-dimethyl-4-heptanol 20.11
    DEF 95.5
    dimethyl isosorbide 139.48
    tetrachloroethylene 184.57
    eugenol 66.61
    triacetin 76.45
    span 80 51.77
    1,4-butanediol 55.83
    1,1-dichloroethane 177.62
    2-methyl-1-pentanol 52.16
    methyl formate 104.01
    2-methyl-1-butanol 47.62
    n-decane 2.3
    butyronitrile 74.68
    3,7-dimethyl-1-octanol 22.81
    1-chlorooctane 11.69
    1-chlorotetradecane 7.33
    n-nonane 1.65
    undecane 1.98
    tert-butylcyclohexane 4.23
    cyclooctane 2.13
    cyclopentanol 70.43
    tetrahydropyran 188.85
    tert-amyl methyl ether 57.23
    2,5,8-trioxanonane 159.29
    1-hexene 10.34
    2-isopropoxyethanol 114.98
    2,2,2-trifluoroethanol 86.52
    methyl butyrate 79.93

    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