3-(3-Propyloxiran-2-yl)prop-2-enal

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  • Identifiers

    CAS number
    134452-45-2

    Molecular formula
    C8H12O2

    SMILES
    CCCC1C(O1)C=CC=O

  • Odor profile

    Fragrance
    Metallic 40.38%
    Green 35.02%
    Citrus 32.81%
    Roasted 32.6%
    Meaty 26.71%
    Fatty 25.66%
    Aldehydic 24.95%
    Nutty 23.04%
    Buttery 20.5%
    Cooked 20.29%

     

    Flavor
    Green 37.59%
    Oily 29.34%
    Spicy 29.25%
    Fatty 26.1%
    Bitter 24.61%
    Spice 23.11%
    Floral 21.72%
    Herbal 21.44%
    Cyclamen 20.05%
    Linalool 19.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.71 (weak acid)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 88.3 ˚C est.

  • Synonyms

    • 3-(3-Propyloxiran-2-yl)prop-2-enal
    • 134452-45-2
    • epoxy-2-octenal,(E)-4,5-epoxy-(E)-2-octenal

  • Applications

    3-(3-Propyloxiran-2-yl)prop-2-enal (CAS 134452-45-2) is used primarily as an epoxy-functional monomer and crosslinking precursor in polymer chemistry. It provides a reactive building block for glycidyl- and epoxy-containing polymers, and is employed in formulations for coatings and inks to promote crosslinking and chemical resistance. It also serves as a reactive crosslinker in adhesives, contributing to adhesion and durability. In electronics and related industries, epoxy-functional monomers are used in encapsulants, potting, and protective coatings for components. Handling and formulation are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 565.61
    methanol 673.3
    isopropanol 317.83
    water 0.31
    ethyl acetate 357.66
    n-propanol 339.91
    acetone 583.21
    n-butanol 309.48
    acetonitrile 442.04
    DMF 472.23
    toluene 127.77
    isobutanol 229.93
    1,4-dioxane 473.71
    methyl acetate 379.64
    THF 747.53
    2-butanone 413.73
    n-pentanol 225.97
    sec-butanol 235.89
    n-hexane 19.5
    ethylene glycol 137.31
    NMP 383.19
    cyclohexane 31.99
    DMSO 868.03
    n-butyl acetate 278.99
    n-octanol 66.21
    chloroform 917.7
    n-propyl acetate 258.99
    acetic acid 484.43
    dichloromethane 1026.6
    cyclohexanone 454.46
    propylene glycol 158.94
    isopropyl acetate 203.13
    DMAc 326.48
    2-ethoxyethanol 342.21
    isopentanol 248.45
    n-heptane 11.97
    ethyl formate 226.0
    1,2-dichloroethane 620.33
    n-hexanol 212.99
    2-methoxyethanol 521.0
    isobutyl acetate 165.15
    tetrachloromethane 99.23
    n-pentyl acetate 118.71
    transcutol 1178.86
    n-heptanol 61.26
    ethylbenzene 70.77
    MIBK 187.54
    2-propoxyethanol 369.51
    tert-butanol 300.16
    MTBE 255.86
    2-butoxyethanol 153.22
    propionic acid 290.85
    o-xylene 74.6
    formic acid 192.97
    diethyl ether 303.9
    m-xylene 84.2
    p-xylene 88.62
    chlorobenzene 240.46
    dimethyl carbonate 106.09
    n-octane 4.71
    formamide 264.98
    cyclopentanone 564.37
    2-pentanone 314.56
    anisole 188.2
    cyclopentyl methyl ether 264.53
    gamma-butyrolactone 613.03
    1-methoxy-2-propanol 349.71
    pyridine 508.75
    3-pentanone 193.26
    furfural 495.47
    n-dodecane 5.55
    diethylene glycol 348.52
    diisopropyl ether 74.22
    tert-amyl alcohol 215.47
    acetylacetone 319.21
    n-hexadecane 6.41
    acetophenone 188.04
    methyl propionate 245.62
    isopentyl acetate 235.51
    trichloroethylene 1058.39
    n-nonanol 57.35
    cyclohexanol 217.98
    benzyl alcohol 182.94
    2-ethylhexanol 105.79
    isooctanol 54.43
    dipropyl ether 115.37
    1,2-dichlorobenzene 204.23
    ethyl lactate 121.25
    propylene carbonate 314.87
    n-methylformamide 283.71
    2-pentanol 180.26
    n-pentane 19.83
    1-propoxy-2-propanol 227.48
    1-methoxy-2-propyl acetate 247.61
    2-(2-methoxypropoxy) propanol 180.8
    mesitylene 56.74
    ε-caprolactone 364.47
    p-cymene 50.7
    epichlorohydrin 737.53
    1,1,1-trichloroethane 393.98
    2-aminoethanol 232.08
    morpholine-4-carbaldehyde 390.48
    sulfolane 599.54
    2,2,4-trimethylpentane 15.45
    2-methyltetrahydrofuran 489.8
    n-hexyl acetate 165.81
    isooctane 14.03
    2-(2-butoxyethoxy)ethanol 246.72
    sec-butyl acetate 165.4
    tert-butyl acetate 210.16
    decalin 21.71
    glycerin 202.59
    diglyme 439.95
    acrylic acid 263.88
    isopropyl myristate 65.15
    n-butyric acid 381.17
    acetyl acetate 205.68
    di(2-ethylhexyl) phthalate 72.73
    ethyl propionate 182.4
    nitromethane 655.06
    1,2-diethoxyethane 295.25
    benzonitrile 239.49
    trioctyl phosphate 47.17
    1-bromopropane 317.45
    gamma-valerolactone 547.76
    n-decanol 44.07
    triethyl phosphate 81.52
    4-methyl-2-pentanol 108.2
    propionitrile 286.35
    vinylene carbonate 279.44
    1,1,2-trichlorotrifluoroethane 443.7
    DMS 181.56
    cumene 52.06
    2-octanol 42.06
    2-hexanone 255.25
    octyl acetate 76.73
    limonene 71.09
    1,2-dimethoxyethane 451.79
    ethyl orthosilicate 76.7
    tributyl phosphate 67.98
    diacetone alcohol 236.06
    N,N-dimethylaniline 109.37
    acrylonitrile 390.35
    aniline 199.89
    1,3-propanediol 305.51
    bromobenzene 250.14
    dibromomethane 653.23
    1,1,2,2-tetrachloroethane 657.86
    2-methyl-cyclohexyl acetate 138.05
    tetrabutyl urea 81.18
    diisobutyl methanol 66.24
    2-phenylethanol 167.91
    styrene 108.6
    dioctyl adipate 103.45
    dimethyl sulfate 161.04
    ethyl butyrate 168.38
    methyl lactate 145.42
    butyl lactate 111.62
    diethyl carbonate 122.07
    propanediol butyl ether 175.88
    triethyl orthoformate 113.34
    p-tert-butyltoluene 47.25
    methyl 4-tert-butylbenzoate 120.74
    morpholine 579.63
    tert-butylamine 190.21
    n-dodecanol 34.9
    dimethoxymethane 291.72
    ethylene carbonate 228.41
    cyrene 171.0
    2-ethoxyethyl acetate 208.96
    2-ethylhexyl acetate 168.6
    1,2,4-trichlorobenzene 255.74
    4-methylpyridine 374.81
    dibutyl ether 100.6
    2,6-dimethyl-4-heptanol 66.24
    DEF 280.28
    dimethyl isosorbide 272.66
    tetrachloroethylene 424.86
    eugenol 133.84
    triacetin 184.8
    span 80 134.74
    1,4-butanediol 134.01
    1,1-dichloroethane 546.12
    2-methyl-1-pentanol 186.17
    methyl formate 214.06
    2-methyl-1-butanol 211.15
    n-decane 8.21
    butyronitrile 298.81
    3,7-dimethyl-1-octanol 88.54
    1-chlorooctane 47.74
    1-chlorotetradecane 20.88
    n-nonane 7.43
    undecane 6.59
    tert-butylcyclohexane 20.48
    cyclooctane 10.0
    cyclopentanol 241.56
    tetrahydropyran 473.22
    tert-amyl methyl ether 153.19
    2,5,8-trioxanonane 285.65
    1-hexene 102.21
    2-isopropoxyethanol 239.97
    2,2,2-trifluoroethanol 142.55
    methyl butyrate 251.93

    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