Methyl 3-(4-methylphenyl)-2-oxiranecarboxylate

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  • Identifiers

    CAS number
    99334-18-6

    Molecular formula
    C11H12O3

    SMILES
    CC1=CC=C(C=C1)C2C(O2)C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 95.72%
    Sweet 83.21%
    Floral 57.78%
    Berry 56.02%
    Cherry 43.9%
    Honey 42.1%
    Strawberry 40.24%
    Almond 34.3%
    Powdery 33.56%
    Tropical 32.56%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point est.
    120.99 ˚C

  • Synonyms

    • methyl 3-(p-tolyl)oxirane-2-carboxylate
    • 99334-18-6
    • Methyl 3-(4-Methylphenyl)oxirane-2-carboxylate
    • DTXSID901248705
    • Methyl 3-(4-methylphenyl)-2-oxiranecarboxylate
    • SCHEMBL7906590
    • NRVPICMUQWVTEE-UHFFFAOYSA-N
    • DTXCID001679529
    • 924-646-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.98
    methanol 192.72
    isopropanol 65.18
    water 0.37
    ethyl acetate 245.45
    n-propanol 77.48
    acetone 129.32
    n-butanol 59.76
    acetonitrile 145.62
    DMF 105.56
    toluene 41.19
    isobutanol 44.16
    1,4-dioxane 256.23
    methyl acetate 207.09
    THF 174.89
    2-butanone 123.31
    n-pentanol 46.82
    sec-butanol 48.17
    n-hexane 0.53
    ethylene glycol 77.06
    NMP 43.76
    cyclohexane 2.29
    DMSO 105.97
    n-butyl acetate 58.98
    n-octanol 10.94
    chloroform 254.14
    n-propyl acetate 84.18
    acetic acid 182.88
    dichloromethane 294.86
    cyclohexanone 95.4
    propylene glycol 52.56
    isopropyl acetate 107.04
    DMAc 142.17
    2-ethoxyethanol 209.56
    isopentanol 60.99
    n-heptane 0.95
    ethyl formate 86.86
    1,2-dichloroethane 178.89
    n-hexanol 38.87
    2-methoxyethanol 354.5
    isobutyl acetate 51.66
    tetrachloromethane 13.52
    n-pentyl acetate 24.6
    transcutol 417.3
    n-heptanol 16.31
    ethylbenzene 21.91
    MIBK 70.24
    2-propoxyethanol 128.48
    tert-butanol 102.13
    MTBE 71.69
    2-butoxyethanol 61.98
    propionic acid 85.43
    o-xylene 26.33
    formic acid 151.13
    diethyl ether 94.16
    m-xylene 27.46
    p-xylene 29.0
    chlorobenzene 57.94
    dimethyl carbonate 74.74
    n-octane 0.58
    formamide 332.01
    cyclopentanone 99.27
    2-pentanone 100.49
    anisole 80.58
    cyclopentyl methyl ether 55.78
    gamma-butyrolactone 135.03
    1-methoxy-2-propanol 175.65
    pyridine 160.45
    3-pentanone 70.86
    furfural 165.9
    n-dodecane 0.81
    diethylene glycol 167.13
    diisopropyl ether 19.68
    tert-amyl alcohol 67.46
    acetylacetone 160.47
    n-hexadecane 0.92
    acetophenone 77.59
    methyl propionate 142.7
    isopentyl acetate 62.99
    trichloroethylene 344.48
    n-nonanol 12.14
    cyclohexanol 35.81
    benzyl alcohol 74.52
    2-ethylhexanol 22.76
    isooctanol 16.87
    dipropyl ether 20.84
    1,2-dichlorobenzene 54.61
    ethyl lactate 45.19
    propylene carbonate 76.33
    n-methylformamide 111.07
    2-pentanol 36.09
    n-pentane 0.75
    1-propoxy-2-propanol 63.76
    1-methoxy-2-propyl acetate 101.31
    2-(2-methoxypropoxy) propanol 75.89
    mesitylene 16.06
    ε-caprolactone 96.17
    p-cymene 14.05
    epichlorohydrin 266.64
    1,1,1-trichloroethane 95.34
    2-aminoethanol 105.98
    morpholine-4-carbaldehyde 136.73
    sulfolane 91.05
    2,2,4-trimethylpentane 1.61
    2-methyltetrahydrofuran 96.87
    n-hexyl acetate 30.81
    isooctane 1.36
    2-(2-butoxyethoxy)ethanol 103.96
    sec-butyl acetate 62.44
    tert-butyl acetate 101.94
    decalin 2.35
    glycerin 99.21
    diglyme 215.7
    acrylic acid 85.69
    isopropyl myristate 15.45
    n-butyric acid 110.48
    acetyl acetate 128.65
    di(2-ethylhexyl) phthalate 20.95
    ethyl propionate 78.36
    nitromethane 343.37
    1,2-diethoxyethane 87.71
    benzonitrile 61.41
    trioctyl phosphate 11.24
    1-bromopropane 47.25
    gamma-valerolactone 178.27
    n-decanol 9.91
    triethyl phosphate 29.34
    4-methyl-2-pentanol 30.89
    propionitrile 88.31
    vinylene carbonate 87.49
    1,1,2-trichlorotrifluoroethane 173.07
    DMS 66.14
    cumene 15.81
    2-octanol 9.54
    2-hexanone 54.24
    octyl acetate 17.45
    limonene 16.1
    1,2-dimethoxyethane 215.09
    ethyl orthosilicate 27.94
    tributyl phosphate 15.22
    diacetone alcohol 121.93
    N,N-dimethylaniline 43.21
    acrylonitrile 130.5
    aniline 70.43
    1,3-propanediol 153.32
    bromobenzene 56.51
    dibromomethane 129.58
    1,1,2,2-tetrachloroethane 205.56
    2-methyl-cyclohexyl acetate 42.05
    tetrabutyl urea 19.45
    diisobutyl methanol 17.65
    2-phenylethanol 60.43
    styrene 28.82
    dioctyl adipate 27.79
    dimethyl sulfate 77.42
    ethyl butyrate 50.93
    methyl lactate 65.29
    butyl lactate 26.38
    diethyl carbonate 43.0
    propanediol butyl ether 46.4
    triethyl orthoformate 37.12
    p-tert-butyltoluene 13.75
    methyl 4-tert-butylbenzoate 51.47
    morpholine 243.23
    tert-butylamine 41.16
    n-dodecanol 8.13
    dimethoxymethane 184.13
    ethylene carbonate 68.64
    cyrene 68.77
    2-ethoxyethyl acetate 72.41
    2-ethylhexyl acetate 44.5
    1,2,4-trichlorobenzene 64.27
    4-methylpyridine 103.79
    dibutyl ether 15.0
    2,6-dimethyl-4-heptanol 17.65
    DEF 86.01
    dimethyl isosorbide 104.84
    tetrachloroethylene 127.8
    eugenol 55.95
    triacetin 55.81
    span 80 40.72
    1,4-butanediol 49.29
    1,1-dichloroethane 124.86
    2-methyl-1-pentanol 47.8
    methyl formate 94.01
    2-methyl-1-butanol 42.96
    n-decane 1.01
    butyronitrile 64.15
    3,7-dimethyl-1-octanol 19.02
    1-chlorooctane 6.67
    1-chlorotetradecane 3.66
    n-nonane 0.74
    undecane 0.89
    tert-butylcyclohexane 2.14
    cyclooctane 0.87
    cyclopentanol 32.75
    tetrahydropyran 105.36
    tert-amyl methyl ether 50.13
    2,5,8-trioxanonane 144.64
    1-hexene 5.06
    2-isopropoxyethanol 119.69
    2,2,2-trifluoroethanol 76.12
    methyl butyrate 86.44

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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