Ethyl 3-methyl-3-pentyloxirane-2-carboxylate

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  • Identifiers

    CAS number
    91213-97-7

    Molecular formula
    C11H20O3

    SMILES
    CCCCCC1(C(O1)C(=O)OCC)C

  • Odor profile

    Fragrance
    Fruity 79.65%
    Floral 68.31%
    Jasmin 48.37%
    Green 47.61%
    Herbal 45.31%
    Sweet 37.78%
    Oily 36.01%
    Peach 34.94%
    Waxy 31.81%
    Fresh 31.38%

     

    Flavor
    Fruity 65.58%
    Green 55.35%
    Waxy 40.81%
    Tropical 39.82%
    Oily 34.22%
    Fruit 30.65%
    Herbal 28.52%
    Berry 26.88%
    Floral 26.76%
    Pineapple 26.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.09 (neutral)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 99.21 ˚C est.

  • Synonyms

    • 91213-97-7
    • AKOS019123543
    • ethyl 3-methyl-3-pentyloxirane-2-carboxylate
    • EN300-699529

  • Applications

    Ethyl 3-methyl-3-pentyloxirane-2-carboxylate (CAS 91213-97-7) is a glycidyl ester that serves as a reactive intermediate in organic synthesis and as an epoxide-functional monomer for epoxy resins. In industry, it is commonly used to produce epoxy resins for coatings and paints, adhesives, and electronic encapsulation. It also acts as a building block for specialty polymers and crosslinking agents used in UV-curable coatings and inks. Additionally, it may be used as an intermediate in pharmaceutical and agrochemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3418.9
    methanol 3789.35
    isopropanol 2373.28
    water 0.76
    ethyl acetate 1697.85
    n-propanol 2308.03
    acetone 2253.2
    n-butanol 1835.4
    acetonitrile 1779.64
    DMF 1860.22
    toluene 599.47
    isobutanol 1663.29
    1,4-dioxane 2380.17
    methyl acetate 1449.59
    THF 2969.02
    2-butanone 1590.95
    n-pentanol 1135.48
    sec-butanol 1903.53
    n-hexane 82.0
    ethylene glycol 539.27
    NMP 1325.78
    cyclohexane 282.75
    DMSO 1802.9
    n-butyl acetate 1052.49
    n-octanol 350.5
    chloroform 4239.62
    n-propyl acetate 895.2
    acetic acid 2321.88
    dichloromethane 3756.1
    cyclohexanone 2208.39
    propylene glycol 828.82
    isopropyl acetate 983.42
    DMAc 1110.42
    2-ethoxyethanol 1350.54
    isopentanol 1327.56
    n-heptane 43.12
    ethyl formate 1135.63
    1,2-dichloroethane 2124.74
    n-hexanol 997.45
    2-methoxyethanol 2400.34
    isobutyl acetate 563.05
    tetrachloromethane 426.85
    n-pentyl acetate 531.53
    transcutol 2540.13
    n-heptanol 307.38
    ethylbenzene 306.62
    MIBK 720.0
    2-propoxyethanol 1398.25
    tert-butanol 1986.46
    MTBE 1375.57
    2-butoxyethanol 632.9
    propionic acid 1383.67
    o-xylene 323.01
    formic acid 803.08
    diethyl ether 1342.79
    m-xylene 353.47
    p-xylene 443.38
    chlorobenzene 1053.01
    dimethyl carbonate 362.24
    n-octane 21.64
    formamide 1001.88
    cyclopentanone 1923.75
    2-pentanone 1309.03
    anisole 652.69
    cyclopentyl methyl ether 1047.24
    gamma-butyrolactone 2109.73
    1-methoxy-2-propanol 1516.86
    pyridine 2087.7
    3-pentanone 739.34
    furfural 1558.94
    n-dodecane 23.05
    diethylene glycol 1131.63
    diisopropyl ether 333.92
    tert-amyl alcohol 1488.43
    acetylacetone 1220.75
    n-hexadecane 27.44
    acetophenone 626.23
    methyl propionate 948.64
    isopentyl acetate 910.06
    trichloroethylene 3546.18
    n-nonanol 288.51
    cyclohexanol 1456.9
    benzyl alcohol 712.71
    2-ethylhexanol 441.24
    isooctanol 254.41
    dipropyl ether 346.62
    1,2-dichlorobenzene 822.04
    ethyl lactate 368.19
    propylene carbonate 1223.11
    n-methylformamide 1267.3
    2-pentanol 1179.67
    n-pentane 93.31
    1-propoxy-2-propanol 882.39
    1-methoxy-2-propyl acetate 820.53
    2-(2-methoxypropoxy) propanol 515.72
    mesitylene 213.37
    ε-caprolactone 1707.49
    p-cymene 176.89
    epichlorohydrin 2597.67
    1,1,1-trichloroethane 1819.94
    2-aminoethanol 1148.46
    morpholine-4-carbaldehyde 1383.7
    sulfolane 1729.89
    2,2,4-trimethylpentane 62.55
    2-methyltetrahydrofuran 2041.46
    n-hexyl acetate 731.92
    isooctane 50.73
    2-(2-butoxyethoxy)ethanol 787.85
    sec-butyl acetate 584.47
    tert-butyl acetate 833.14
    decalin 92.88
    glycerin 831.91
    diglyme 1293.06
    acrylic acid 1029.18
    isopropyl myristate 243.58
    n-butyric acid 2011.9
    acetyl acetate 905.25
    di(2-ethylhexyl) phthalate 248.5
    ethyl propionate 617.24
    nitromethane 2408.19
    1,2-diethoxyethane 839.26
    benzonitrile 949.68
    trioctyl phosphate 170.62
    1-bromopropane 1286.05
    gamma-valerolactone 2161.48
    n-decanol 199.68
    triethyl phosphate 218.64
    4-methyl-2-pentanol 506.51
    propionitrile 1297.45
    vinylene carbonate 1129.89
    1,1,2-trichlorotrifluoroethane 1657.82
    DMS 587.14
    cumene 195.77
    2-octanol 242.92
    2-hexanone 806.79
    octyl acetate 307.91
    limonene 278.66
    1,2-dimethoxyethane 1778.22
    ethyl orthosilicate 210.09
    tributyl phosphate 212.5
    diacetone alcohol 899.53
    N,N-dimethylaniline 342.69
    acrylonitrile 1321.58
    aniline 847.3
    1,3-propanediol 1514.31
    bromobenzene 1125.48
    dibromomethane 2476.22
    1,1,2,2-tetrachloroethane 2798.11
    2-methyl-cyclohexyl acetate 429.06
    tetrabutyl urea 253.11
    diisobutyl methanol 243.96
    2-phenylethanol 651.51
    styrene 424.72
    dioctyl adipate 346.58
    dimethyl sulfate 448.85
    ethyl butyrate 523.65
    methyl lactate 508.42
    butyl lactate 413.8
    diethyl carbonate 379.69
    propanediol butyl ether 690.73
    triethyl orthoformate 334.37
    p-tert-butyltoluene 166.6
    methyl 4-tert-butylbenzoate 397.59
    morpholine 2978.35
    tert-butylamine 1076.96
    n-dodecanol 146.74
    dimethoxymethane 1138.7
    ethylene carbonate 1047.81
    cyrene 489.37
    2-ethoxyethyl acetate 715.64
    2-ethylhexyl acetate 644.13
    1,2,4-trichlorobenzene 990.06
    4-methylpyridine 1631.84
    dibutyl ether 377.97
    2,6-dimethyl-4-heptanol 243.96
    DEF 1066.08
    dimethyl isosorbide 720.59
    tetrachloroethylene 1787.57
    eugenol 419.33
    triacetin 541.47
    span 80 494.0
    1,4-butanediol 630.05
    1,1-dichloroethane 2354.73
    2-methyl-1-pentanol 884.39
    methyl formate 950.92
    2-methyl-1-butanol 1238.93
    n-decane 37.72
    butyronitrile 1568.82
    3,7-dimethyl-1-octanol 369.56
    1-chlorooctane 208.56
    1-chlorotetradecane 80.1
    n-nonane 34.81
    undecane 28.37
    tert-butylcyclohexane 75.91
    cyclooctane 54.94
    cyclopentanol 1547.71
    tetrahydropyran 2534.27
    tert-amyl methyl ether 770.13
    2,5,8-trioxanonane 819.97
    1-hexene 405.09
    2-isopropoxyethanol 880.78
    2,2,2-trifluoroethanol 554.32
    methyl butyrate 948.49

    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