trans-4,5-Epoxy-(E)-nonenal

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  • Identifiers

    Molecular formula
    C9H14O2

    SMILES
    CCCCC1C(O1)/C=C/C=O

  • Odor profile

    Green 45.28%
    Metallic 44.99%
    Citrus 43.17%
    Aldehydic 32.96%
    Fatty 31.09%
    Roasted 25.43%
    Meaty 25.13%
    Fresh 21.46%
    Mushroom 19.42%
    Grassy 18.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point est.
    98.85 ˚C

  • Synonyms

    • trans-4,5-Epoxy-(E)-nonenal
    • 4,5-epoxy-trans-2-nonenal
    • SCHEMBL10956338
    • SCHEMBL10956340

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 729.49
    methanol 795.08
    isopropanol 424.73
    water 0.14
    ethyl acetate 462.78
    n-propanol 437.77
    acetone 565.53
    n-butanol 411.41
    acetonitrile 431.51
    DMF 440.58
    toluene 160.47
    isobutanol 285.3
    1,4-dioxane 557.26
    methyl acetate 435.05
    THF 823.63
    2-butanone 459.04
    n-pentanol 287.86
    sec-butanol 311.25
    n-hexane 20.93
    ethylene glycol 134.86
    NMP 277.64
    cyclohexane 35.79
    DMSO 800.61
    n-butyl acetate 314.58
    n-octanol 62.05
    chloroform 999.71
    n-propyl acetate 302.61
    acetic acid 464.25
    dichloromethane 1079.2
    cyclohexanone 467.62
    propylene glycol 191.22
    isopropyl acetate 275.94
    DMAc 343.54
    2-ethoxyethanol 434.09
    isopentanol 325.4
    n-heptane 11.97
    ethyl formate 248.05
    1,2-dichloroethane 688.34
    n-hexanol 272.86
    2-methoxyethanol 674.88
    isobutyl acetate 198.86
    tetrachloromethane 96.45
    n-pentyl acetate 119.9
    transcutol 1241.84
    n-heptanol 69.01
    ethylbenzene 84.25
    MIBK 229.39
    2-propoxyethanol 466.84
    tert-butanol 386.67
    MTBE 333.97
    2-butoxyethanol 178.73
    propionic acid 307.01
    o-xylene 81.67
    formic acid 155.89
    diethyl ether 424.02
    m-xylene 100.45
    p-xylene 100.96
    chlorobenzene 242.8
    dimethyl carbonate 104.47
    n-octane 4.59
    formamide 217.14
    cyclopentanone 504.85
    2-pentanone 369.32
    anisole 213.57
    cyclopentyl methyl ether 290.94
    gamma-butyrolactone 524.75
    1-methoxy-2-propanol 471.33
    pyridine 586.67
    3-pentanone 215.54
    furfural 455.23
    n-dodecane 4.97
    diethylene glycol 399.91
    diisopropyl ether 92.72
    tert-amyl alcohol 258.56
    acetylacetone 359.27
    n-hexadecane 5.74
    acetophenone 204.48
    methyl propionate 284.89
    isopentyl acetate 270.54
    trichloroethylene 1077.93
    n-nonanol 55.8
    cyclohexanol 253.02
    benzyl alcohol 221.04
    2-ethylhexanol 123.29
    isooctanol 59.82
    dipropyl ether 142.67
    1,2-dichlorobenzene 203.17
    ethyl lactate 131.74
    propylene carbonate 293.99
    n-methylformamide 262.34
    2-pentanol 235.28
    n-pentane 21.45
    1-propoxy-2-propanol 284.67
    1-methoxy-2-propyl acetate 300.84
    2-(2-methoxypropoxy) propanol 186.74
    mesitylene 61.8
    ε-caprolactone 390.28
    p-cymene 52.04
    epichlorohydrin 793.91
    1,1,1-trichloroethane 419.21
    2-aminoethanol 263.61
    morpholine-4-carbaldehyde 380.45
    sulfolane 480.03
    2,2,4-trimethylpentane 15.29
    2-methyltetrahydrofuran 533.25
    n-hexyl acetate 158.68
    isooctane 14.47
    2-(2-butoxyethoxy)ethanol 261.71
    sec-butyl acetate 209.09
    tert-butyl acetate 256.25
    decalin 22.01
    glycerin 224.3
    diglyme 487.18
    acrylic acid 249.25
    isopropyl myristate 63.07
    n-butyric acid 446.81
    acetyl acetate 240.83
    di(2-ethylhexyl) phthalate 69.43
    ethyl propionate 216.77
    nitromethane 589.35
    1,2-diethoxyethane 341.07
    benzonitrile 250.84
    trioctyl phosphate 43.31
    1-bromopropane 391.31
    gamma-valerolactone 572.32
    n-decanol 42.19
    triethyl phosphate 83.39
    4-methyl-2-pentanol 136.68
    propionitrile 346.67
    vinylene carbonate 261.61
    1,1,2-trichlorotrifluoroethane 470.48
    DMS 182.66
    cumene 55.92
    2-octanol 42.91
    2-hexanone 284.54
    octyl acetate 71.2
    limonene 72.31
    1,2-dimethoxyethane 556.34
    ethyl orthosilicate 81.49
    tributyl phosphate 62.12
    diacetone alcohol 280.25
    N,N-dimethylaniline 114.31
    acrylonitrile 418.7
    aniline 225.5
    1,3-propanediol 380.32
    bromobenzene 259.91
    dibromomethane 695.06
    1,1,2,2-tetrachloroethane 736.57
    2-methyl-cyclohexyl acetate 142.95
    tetrabutyl urea 75.04
    diisobutyl methanol 77.83
    2-phenylethanol 194.47
    styrene 126.77
    dioctyl adipate 99.37
    dimethyl sulfate 141.28
    ethyl butyrate 193.78
    methyl lactate 153.9
    butyl lactate 117.36
    diethyl carbonate 135.3
    propanediol butyl ether 175.68
    triethyl orthoformate 128.29
    p-tert-butyltoluene 49.15
    methyl 4-tert-butylbenzoate 116.31
    morpholine 738.33
    tert-butylamine 234.93
    n-dodecanol 33.12
    dimethoxymethane 347.01
    ethylene carbonate 223.57
    cyrene 161.99
    2-ethoxyethyl acetate 229.29
    2-ethylhexyl acetate 188.9
    1,2,4-trichlorobenzene 255.35
    4-methylpyridine 419.5
    dibutyl ether 102.03
    2,6-dimethyl-4-heptanol 77.83
    DEF 316.08
    dimethyl isosorbide 265.62
    tetrachloroethylene 449.63
    eugenol 131.82
    triacetin 179.35
    span 80 136.82
    1,4-butanediol 148.16
    1,1-dichloroethane 621.97
    2-methyl-1-pentanol 235.6
    methyl formate 181.8
    2-methyl-1-butanol 269.36
    n-decane 7.4
    butyronitrile 366.58
    3,7-dimethyl-1-octanol 90.98
    1-chlorooctane 43.81
    1-chlorotetradecane 18.94
    n-nonane 6.58
    undecane 5.88
    tert-butylcyclohexane 20.82
    cyclooctane 10.67
    cyclopentanol 258.49
    tetrahydropyran 595.61
    tert-amyl methyl ether 193.73
    2,5,8-trioxanonane 299.44
    1-hexene 123.18
    2-isopropoxyethanol 294.37
    2,2,2-trifluoroethanol 118.22
    methyl butyrate 301.48

    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