2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester

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  • Identifiers

    CAS number
    83803-54-7

    Molecular formula
    C15H28O3

    SMILES
    CCCCCCCCCC1(C(O1)C(=O)OCC)C

  • Odor profile

    Fragrance
    Fruity 63.43%
    Floral 53.5%
    Fatty 49.37%
    Waxy 48.4%
    Oily 47.99%
    Peach 39.03%
    Sweet 37.43%
    Jasmin 35.5%
    Creamy 34.61%
    Lactonic 33.12%

     

    Flavor
    Waxy 55.85%
    Oily 48.16%
    Fruity 44.59%
    Fatty 36.36%
    Green 35.44%
    Mild 35.15%
    Creamy 32.52%
    Soapy 30.0%
    Floral 26.56%
    Tropical 25.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.09 (neutral)

    Molecular weight
    256.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 125.18 ˚C est.

  • Synonyms

    • 83803-54-7
    • EINECS 280-872-9
    • NSC 26485
    • Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester
    • 2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester
    • DTXSID70868755
    • Ethyl 3-methyl-3-nonyloxirane-2-carboxylate
    • NSC26485
    • DTXCID10816836
    • YHCBZNQNUSFQOF-UHFFFAOYSA-N
    • NSC-26485
    • DS-004325
    • NS00062490
    • 2-Oxiranecarboxylicacid, 3-methyl-3-nonyl-, ethyl ester

  • Applications

    The compound 2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester (CAS 83803-54-7) is commonly used as a reactive diluent in epoxy resin systems, enabling lower viscosity and facilitating curing in coatings, adhesives, and electronics encapsulation. It also functions as an intermediate in the synthesis of specialty polymers and epoxy-containing networks. Its bulky, branched side chain can act as a plasticizer or processing aid to improve flexibility and processability in compatible polymer formulations. Additionally, it serves as a building block for the synthesis of functional monomers in industrial polymer chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4066.04
    methanol 3105.05
    isopropanol 3354.88
    water 0.12
    ethyl acetate 4423.97
    n-propanol 3299.92
    acetone 4823.86
    n-butanol 2747.74
    acetonitrile 2897.56
    DMF 2627.93
    toluene 1268.8
    isobutanol 2562.08
    1,4-dioxane 4085.39
    methyl acetate 3030.89
    THF 6014.06
    2-butanone 3827.0
    n-pentanol 1694.76
    sec-butanol 2905.21
    n-hexane 254.66
    ethylene glycol 269.59
    NMP 2134.46
    cyclohexane 856.72
    DMSO 2433.46
    n-butyl acetate 2334.34
    n-octanol 495.31
    chloroform 7229.39
    n-propyl acetate 2462.59
    acetic acid 2229.4
    dichloromethane 7061.01
    cyclohexanone 5367.48
    propylene glycol 603.26
    isopropyl acetate 2772.97
    DMAc 2085.04
    2-ethoxyethanol 2286.87
    isopentanol 2252.22
    n-heptane 114.74
    ethyl formate 1794.36
    1,2-dichloroethane 4753.41
    n-hexanol 1347.32
    2-methoxyethanol 2993.77
    isobutyl acetate 1449.27
    tetrachloromethane 895.62
    n-pentyl acetate 1393.95
    transcutol 4171.74
    n-heptanol 495.78
    ethylbenzene 632.46
    MIBK 1812.19
    2-propoxyethanol 2086.68
    tert-butanol 2958.65
    MTBE 3533.69
    2-butoxyethanol 1088.25
    propionic acid 1808.13
    o-xylene 624.82
    formic acid 466.69
    diethyl ether 3818.99
    m-xylene 674.52
    p-xylene 876.11
    chlorobenzene 1963.25
    dimethyl carbonate 656.0
    n-octane 49.98
    formamide 842.94
    cyclopentanone 4335.01
    2-pentanone 3671.2
    anisole 1228.38
    cyclopentyl methyl ether 2762.63
    gamma-butyrolactone 3953.64
    1-methoxy-2-propanol 2312.56
    pyridine 3993.63
    3-pentanone 2142.95
    furfural 2440.87
    n-dodecane 40.99
    diethylene glycol 1177.62
    diisopropyl ether 963.19
    tert-amyl alcohol 2478.09
    acetylacetone 2940.26
    n-hexadecane 49.75
    acetophenone 1188.7
    methyl propionate 2363.92
    isopentyl acetate 1974.48
    trichloroethylene 7020.23
    n-nonanol 425.88
    cyclohexanol 2591.32
    benzyl alcohol 1063.4
    2-ethylhexanol 712.69
    isooctanol 449.41
    dipropyl ether 921.45
    1,2-dichlorobenzene 1581.45
    ethyl lactate 683.98
    propylene carbonate 2131.91
    n-methylformamide 1486.75
    2-pentanol 2087.83
    n-pentane 264.8
    1-propoxy-2-propanol 1418.23
    1-methoxy-2-propyl acetate 1720.6
    2-(2-methoxypropoxy) propanol 780.38
    mesitylene 434.66
    ε-caprolactone 3921.4
    p-cymene 324.94
    epichlorohydrin 5182.68
    1,1,1-trichloroethane 4121.34
    2-aminoethanol 925.18
    morpholine-4-carbaldehyde 2275.53
    sulfolane 3000.85
    2,2,4-trimethylpentane 137.53
    2-methyltetrahydrofuran 4877.42
    n-hexyl acetate 1573.82
    isooctane 110.73
    2-(2-butoxyethoxy)ethanol 1225.73
    sec-butyl acetate 1724.5
    tert-butyl acetate 2176.38
    decalin 215.62
    glycerin 580.52
    diglyme 2264.06
    acrylic acid 1101.16
    isopropyl myristate 479.61
    n-butyric acid 3228.47
    acetyl acetate 1945.55
    di(2-ethylhexyl) phthalate 381.04
    ethyl propionate 1832.23
    nitromethane 3303.75
    1,2-diethoxyethane 1913.81
    benzonitrile 1491.22
    trioctyl phosphate 271.51
    1-bromopropane 3185.94
    gamma-valerolactone 4493.55
    n-decanol 281.19
    triethyl phosphate 445.8
    4-methyl-2-pentanol 904.39
    propionitrile 2462.7
    vinylene carbonate 1773.84
    1,1,2-trichlorotrifluoroethane 2527.19
    DMS 1145.35
    cumene 387.54
    2-octanol 413.43
    2-hexanone 2074.28
    octyl acetate 581.49
    limonene 573.22
    1,2-dimethoxyethane 3245.81
    ethyl orthosilicate 426.6
    tributyl phosphate 356.97
    diacetone alcohol 1721.73
    N,N-dimethylaniline 642.48
    acrylonitrile 2153.13
    aniline 1479.01
    1,3-propanediol 1535.34
    bromobenzene 2236.59
    dibromomethane 4681.21
    1,1,2,2-tetrachloroethane 5519.45
    2-methyl-cyclohexyl acetate 888.09
    tetrabutyl urea 432.08
    diisobutyl methanol 414.84
    2-phenylethanol 938.34
    styrene 842.85
    dioctyl adipate 634.99
    dimethyl sulfate 762.17
    ethyl butyrate 1267.0
    methyl lactate 794.96
    butyl lactate 838.54
    diethyl carbonate 796.07
    propanediol butyl ether 856.82
    triethyl orthoformate 767.7
    p-tert-butyltoluene 296.57
    methyl 4-tert-butylbenzoate 734.54
    morpholine 5411.22
    tert-butylamine 1865.17
    n-dodecanol 204.98
    dimethoxymethane 2040.56
    ethylene carbonate 1852.84
    cyrene 720.69
    2-ethoxyethyl acetate 1740.01
    2-ethylhexyl acetate 1474.77
    1,2,4-trichlorobenzene 1832.66
    4-methylpyridine 3088.21
    dibutyl ether 883.22
    2,6-dimethyl-4-heptanol 414.84
    DEF 2522.85
    dimethyl isosorbide 1145.63
    tetrachloroethylene 3396.6
    eugenol 659.87
    triacetin 1138.59
    span 80 740.11
    1,4-butanediol 647.96
    1,1-dichloroethane 5020.76
    2-methyl-1-pentanol 1448.76
    methyl formate 1044.99
    2-methyl-1-butanol 2074.74
    n-decane 78.7
    butyronitrile 2913.03
    3,7-dimethyl-1-octanol 561.24
    1-chlorooctane 429.18
    1-chlorotetradecane 143.39
    n-nonane 75.12
    undecane 52.63
    tert-butylcyclohexane 165.75
    cyclooctane 158.87
    cyclopentanol 2609.22
    tetrahydropyran 6062.3
    tert-amyl methyl ether 1914.82
    2,5,8-trioxanonane 1269.9
    1-hexene 1043.33
    2-isopropoxyethanol 1583.03
    2,2,2-trifluoroethanol 613.33
    methyl butyrate 2594.07

    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