Ethyl 3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylate

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  • Identifiers

    CAS number
    75033-21-5

    Molecular formula
    C12H20O3

    SMILES
    CCOC(=O)C1C(O1)(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Fruity 79.72%
    Floral 73.7%
    Sweet 54.68%
    Rose 50.5%
    Green 43.42%
    Citrus 39.23%
    Herbal 38.98%
    Tropical 35.22%
    Fresh 34.53%
    Jasmin 32.56%

     

    Flavor
    Fruity 52.02%
    Green 47.39%
    Floral 37.01%
    Herbal 36.47%
    Bitter 36.07%
    Tropical 35.38%
    Fruit 27.67%
    Rose 27.46%
    Sweet 26.01%
    Waxy 25.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.03 (neutral)

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 107.74 ˚C est.

  • Synonyms

    • 75033-21-5
    • Ethyl 3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylate
    • EINECS 278-060-4
    • DTXSID70996542
    • NZPDKZBODKIQSA-UHFFFAOYSA-N
    • NS00059141
    • ETHYL 3-METHYL-3-(4-METHYLPENT-3-EN-1-YL)OXIRANE-2-CARBOXYLATE

  • Applications

    Ethyl 3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylate (CAS 75033-21-5) is used primarily as a versatile intermediate in organic synthesis, serving as a building block for terpenoid-derived fragrance compounds in perfumery and flavor chemistry; it may serve as a precursor for chiral terpenoid derivatives in research and development for pharmaceutical and agrochemical applications; it also functions as an epoxy-functional monomer or reactive intermediate for specialty epoxy resins, coatings, and adhesives; and in cosmetics and personal care, it can be employed as a fragrance-ingredient precursor or in fragrance-delivery formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1391.84
    methanol 1502.12
    isopropanol 962.43
    water 1.08
    ethyl acetate 507.69
    n-propanol 808.43
    acetone 586.36
    n-butanol 722.14
    acetonitrile 471.16
    DMF 512.02
    toluene 264.71
    isobutanol 583.78
    1,4-dioxane 1219.23
    methyl acetate 416.88
    THF 1269.29
    2-butanone 425.2
    n-pentanol 497.24
    sec-butanol 739.91
    n-hexane 38.38
    ethylene glycol 246.55
    NMP 396.52
    cyclohexane 119.0
    DMSO 480.3
    n-butyl acetate 342.46
    n-octanol 216.34
    chloroform 1498.97
    n-propyl acetate 290.5
    acetic acid 824.68
    dichloromethane 1157.31
    cyclohexanone 592.38
    propylene glycol 433.87
    isopropyl acetate 303.97
    DMAc 433.06
    2-ethoxyethanol 710.24
    isopentanol 525.19
    n-heptane 26.22
    ethyl formate 345.32
    1,2-dichloroethane 540.87
    n-hexanol 479.64
    2-methoxyethanol 1175.78
    isobutyl acetate 228.64
    tetrachloromethane 153.94
    n-pentyl acetate 206.94
    transcutol 1379.04
    n-heptanol 180.34
    ethylbenzene 151.21
    MIBK 252.8
    2-propoxyethanol 694.46
    tert-butanol 959.67
    MTBE 556.66
    2-butoxyethanol 338.95
    propionic acid 400.59
    o-xylene 154.23
    formic acid 302.58
    diethyl ether 469.9
    m-xylene 175.79
    p-xylene 221.38
    chlorobenzene 333.12
    dimethyl carbonate 129.17
    n-octane 14.21
    formamide 368.62
    cyclopentanone 519.63
    2-pentanone 366.35
    anisole 303.82
    cyclopentyl methyl ether 395.59
    gamma-butyrolactone 551.05
    1-methoxy-2-propanol 758.74
    pyridine 625.46
    3-pentanone 218.84
    furfural 508.93
    n-dodecane 17.55
    diethylene glycol 618.6
    diisopropyl ether 137.77
    tert-amyl alcohol 703.4
    acetylacetone 394.06
    n-hexadecane 19.84
    acetophenone 261.7
    methyl propionate 280.29
    isopentyl acetate 328.05
    trichloroethylene 1003.19
    n-nonanol 186.98
    cyclohexanol 598.94
    benzyl alcohol 312.66
    2-ethylhexanol 230.62
    isooctanol 149.62
    dipropyl ether 170.91
    1,2-dichlorobenzene 278.26
    ethyl lactate 172.95
    propylene carbonate 377.95
    n-methylformamide 315.51
    2-pentanol 482.65
    n-pentane 46.5
    1-propoxy-2-propanol 442.94
    1-methoxy-2-propyl acetate 329.3
    2-(2-methoxypropoxy) propanol 336.71
    mesitylene 108.77
    ε-caprolactone 510.26
    p-cymene 94.44
    epichlorohydrin 782.34
    1,1,1-trichloroethane 536.76
    2-aminoethanol 513.74
    morpholine-4-carbaldehyde 615.93
    sulfolane 463.7
    2,2,4-trimethylpentane 34.7
    2-methyltetrahydrofuran 776.99
    n-hexyl acetate 331.89
    isooctane 27.26
    2-(2-butoxyethoxy)ethanol 496.54
    sec-butyl acetate 219.27
    tert-butyl acetate 310.77
    decalin 49.83
    glycerin 439.18
    diglyme 700.56
    acrylic acid 300.11
    isopropyl myristate 135.41
    n-butyric acid 611.5
    acetyl acetate 312.32
    di(2-ethylhexyl) phthalate 141.99
    ethyl propionate 226.38
    nitromethane 654.74
    1,2-diethoxyethane 414.72
    benzonitrile 338.47
    trioctyl phosphate 99.09
    1-bromopropane 369.76
    gamma-valerolactone 736.82
    n-decanol 138.72
    triethyl phosphate 113.26
    4-methyl-2-pentanol 240.0
    propionitrile 333.44
    vinylene carbonate 366.87
    1,1,2-trichlorotrifluoroethane 580.26
    DMS 251.23
    cumene 106.87
    2-octanol 147.76
    2-hexanone 286.69
    octyl acetate 173.92
    limonene 131.44
    1,2-dimethoxyethane 839.61
    ethyl orthosilicate 117.56
    tributyl phosphate 119.63
    diacetone alcohol 386.66
    N,N-dimethylaniline 182.54
    acrylonitrile 333.63
    aniline 348.31
    1,3-propanediol 732.07
    bromobenzene 338.0
    dibromomethane 769.6
    1,1,2,2-tetrachloroethane 842.39
    2-methyl-cyclohexyl acetate 218.51
    tetrabutyl urea 138.14
    diisobutyl methanol 125.22
    2-phenylethanol 316.26
    styrene 181.04
    dioctyl adipate 182.17
    dimethyl sulfate 151.0
    ethyl butyrate 221.91
    methyl lactate 203.69
    butyl lactate 192.82
    diethyl carbonate 170.72
    propanediol butyl ether 395.33
    triethyl orthoformate 170.42
    p-tert-butyltoluene 93.13
    methyl 4-tert-butylbenzoate 201.83
    morpholine 1374.53
    tert-butylamine 533.15
    n-dodecanol 108.04
    dimethoxymethane 453.03
    ethylene carbonate 330.92
    cyrene 280.59
    2-ethoxyethyl acetate 310.05
    2-ethylhexyl acetate 251.02
    1,2,4-trichlorobenzene 332.83
    4-methylpyridine 543.4
    dibutyl ether 188.01
    2,6-dimethyl-4-heptanol 125.22
    DEF 304.88
    dimethyl isosorbide 428.19
    tetrachloroethylene 504.24
    eugenol 225.18
    triacetin 277.48
    span 80 322.37
    1,4-butanediol 320.0
    1,1-dichloroethane 650.72
    2-methyl-1-pentanol 407.5
    methyl formate 261.16
    2-methyl-1-butanol 496.22
    n-decane 26.23
    butyronitrile 470.35
    3,7-dimethyl-1-octanol 207.85
    1-chlorooctane 110.3
    1-chlorotetradecane 51.97
    n-nonane 23.48
    undecane 20.95
    tert-butylcyclohexane 45.19
    cyclooctane 28.82
    cyclopentanol 544.08
    tetrahydropyran 961.4
    tert-amyl methyl ether 332.61
    2,5,8-trioxanonane 499.44
    1-hexene 167.21
    2-isopropoxyethanol 451.27
    2,2,2-trifluoroethanol 195.13
    methyl butyrate 293.8

    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