trans-4,5-epoxy-(E)-undec-2-enal

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  • Identifiers

    Molecular formula
    C11H18O2

    SMILES
    CCCCCC[C@@H]1[C@H](O1)/C=C/C=O

  • Odor profile

    Citrus 57.89%
    Metallic 44.35%
    Green 43.48%
    Aldehydic 42.37%
    Fatty 41.59%
    Fresh 28.22%
    Meaty 27.19%
    Waxy 22.64%
    Oily 22.44%
    Lactonic 21.8%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point est.
    118.6 ˚C

  • Synonyms

    • trans-4,5-epoxy-(E)-undec-2-enal
    • RMXFWTWOCHIUQP-AQKAQLFCSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 953.47
    methanol 864.89
    isopropanol 600.38
    water 0.03
    ethyl acetate 1093.61
    n-propanol 655.49
    acetone 1085.78
    n-butanol 606.31
    acetonitrile 691.45
    DMF 586.64
    toluene 325.11
    isobutanol 408.49
    1,4-dioxane 928.07
    methyl acetate 766.59
    THF 1655.84
    2-butanone 964.29
    n-pentanol 413.99
    sec-butanol 471.72
    n-hexane 53.54
    ethylene glycol 107.16
    NMP 436.46
    cyclohexane 85.2
    DMSO 1281.26
    n-butyl acetate 643.74
    n-octanol 77.8
    chloroform 1793.39
    n-propyl acetate 628.71
    acetic acid 525.65
    dichloromethane 2022.28
    cyclohexanone 941.67
    propylene glycol 205.92
    isopropyl acetate 641.77
    DMAc 547.07
    2-ethoxyethanol 717.86
    isopentanol 503.2
    n-heptane 23.43
    ethyl formate 380.73
    1,2-dichloroethane 1492.62
    n-hexanol 382.23
    2-methoxyethanol 996.99
    isobutyl acetate 382.62
    tetrachloromethane 179.3
    n-pentyl acetate 235.0
    transcutol 2249.75
    n-heptanol 90.1
    ethylbenzene 157.79
    MIBK 489.04
    2-propoxyethanol 755.28
    tert-butanol 570.27
    MTBE 742.09
    2-butoxyethanol 270.47
    propionic acid 402.66
    o-xylene 146.63
    formic acid 134.15
    diethyl ether 1070.52
    m-xylene 187.72
    p-xylene 170.04
    chlorobenzene 427.48
    dimethyl carbonate 172.24
    n-octane 7.99
    formamide 240.96
    cyclopentanone 986.89
    2-pentanone 844.46
    anisole 389.65
    cyclopentyl methyl ether 668.8
    gamma-butyrolactone 915.54
    1-methoxy-2-propanol 777.65
    pyridine 976.93
    3-pentanone 527.63
    furfural 708.3
    n-dodecane 6.82
    diethylene glycol 517.26
    diisopropyl ether 230.37
    tert-amyl alcohol 406.07
    acetylacetone 774.28
    n-hexadecane 8.19
    acetophenone 350.78
    methyl propionate 629.7
    isopentyl acetate 535.02
    trichloroethylene 2145.01
    n-nonanol 73.03
    cyclohexanol 411.61
    benzyl alcohol 345.05
    2-ethylhexanol 189.73
    isooctanol 85.34
    dipropyl ether 310.58
    1,2-dichlorobenzene 377.02
    ethyl lactate 211.47
    propylene carbonate 495.5
    n-methylformamide 341.31
    2-pentanol 374.35
    n-pentane 47.65
    1-propoxy-2-propanol 489.4
    1-methoxy-2-propyl acetate 628.97
    2-(2-methoxypropoxy) propanol 295.58
    mesitylene 113.55
    ε-caprolactone 760.41
    p-cymene 86.5
    epichlorohydrin 1573.66
    1,1,1-trichloroethane 910.4
    2-aminoethanol 274.3
    morpholine-4-carbaldehyde 615.96
    sulfolane 888.33
    2,2,4-trimethylpentane 29.25
    2-methyltetrahydrofuran 1152.52
    n-hexyl acetate 277.25
    isooctane 28.57
    2-(2-butoxyethoxy)ethanol 403.51
    sec-butyl acetate 457.18
    tert-butyl acetate 578.79
    decalin 42.96
    glycerin 232.24
    diglyme 805.47
    acrylic acid 290.31
    isopropyl myristate 107.49
    n-butyric acid 685.05
    acetyl acetate 472.44
    di(2-ethylhexyl) phthalate 97.35
    ethyl propionate 480.98
    nitromethane 863.38
    1,2-diethoxyethane 762.95
    benzonitrile 386.87
    trioctyl phosphate 60.43
    1-bromopropane 908.61
    gamma-valerolactone 1089.04
    n-decanol 53.2
    triethyl phosphate 149.08
    4-methyl-2-pentanol 218.61
    propionitrile 588.46
    vinylene carbonate 400.18
    1,1,2-trichlorotrifluoroethane 808.43
    DMS 324.48
    cumene 99.15
    2-octanol 58.35
    2-hexanone 573.27
    octyl acetate 114.62
    limonene 126.38
    1,2-dimethoxyethane 991.68
    ethyl orthosilicate 148.82
    tributyl phosphate 97.31
    diacetone alcohol 542.55
    N,N-dimethylaniline 205.78
    acrylonitrile 608.23
    aniline 379.68
    1,3-propanediol 439.53
    bromobenzene 499.9
    dibromomethane 1376.99
    1,1,2,2-tetrachloroethane 1524.45
    2-methyl-cyclohexyl acetate 251.45
    tetrabutyl urea 112.32
    diisobutyl methanol 128.59
    2-phenylethanol 298.36
    styrene 238.28
    dioctyl adipate 160.03
    dimethyl sulfate 242.2
    ethyl butyrate 394.31
    methyl lactate 235.23
    butyl lactate 187.38
    diethyl carbonate 250.64
    propanediol butyl ether 235.38
    triethyl orthoformate 248.01
    p-tert-butyltoluene 82.41
    methyl 4-tert-butylbenzoate 182.43
    morpholine 1348.8
    tert-butylamine 366.84
    n-dodecanol 41.02
    dimethoxymethane 674.26
    ethylene carbonate 361.55
    cyrene 236.18
    2-ethoxyethyl acetate 457.21
    2-ethylhexyl acetate 375.63
    1,2,4-trichlorobenzene 459.22
    4-methylpyridine 745.72
    dibutyl ether 206.3
    2,6-dimethyl-4-heptanol 128.59
    DEF 633.25
    dimethyl isosorbide 445.14
    tetrachloroethylene 859.47
    eugenol 190.0
    triacetin 303.47
    span 80 202.34
    1,4-butanediol 176.36
    1,1-dichloroethane 1271.04
    2-methyl-1-pentanol 360.73
    methyl formate 219.56
    2-methyl-1-butanol 405.9
    n-decane 10.98
    butyronitrile 610.65
    3,7-dimethyl-1-octanol 136.48
    1-chlorooctane 69.75
    1-chlorotetradecane 26.47
    n-nonane 10.18
    undecane 8.34
    tert-butylcyclohexane 39.12
    cyclooctane 24.31
    cyclopentanol 400.11
    tetrahydropyran 1201.38
    tert-amyl methyl ether 437.38
    2,5,8-trioxanonane 463.1
    1-hexene 287.02
    2-isopropoxyethanol 489.66
    2,2,2-trifluoroethanol 133.01
    methyl butyrate 627.41

    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