trans-2,3-Epoxyoctanal

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  • Identifiers

    Molecular formula
    C8H14O2

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

  • Odor profile

    Citrus 70.71%
    Green 62.78%
    Fatty 61.77%
    Fruity 56.57%
    Aldehydic 50.65%
    Fresh 39.17%
    Waxy 36.1%
    Metallic 35.69%
    Orange 29.62%
    Sweet 26.05%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point est.
    78.56 ˚C

  • Synonyms

    • trans-2,3-epoxyoctanal
    • YWFUECKBUFORTA-HTQZYQBOSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1866.23
    methanol 2297.5
    isopropanol 1055.36
    water 0.38
    ethyl acetate 1611.63
    n-propanol 1102.2
    acetone 2425.24
    n-butanol 1002.38
    acetonitrile 1525.22
    DMF 1408.48
    toluene 297.71
    isobutanol 717.63
    1,4-dioxane 1442.88
    methyl acetate 1342.18
    THF 2269.7
    2-butanone 1378.95
    n-pentanol 571.68
    sec-butanol 658.03
    n-hexane 39.31
    ethylene glycol 430.53
    NMP 885.15
    cyclohexane 89.77
    DMSO 2553.01
    n-butyl acetate 871.04
    n-octanol 115.36
    chloroform 2300.09
    n-propyl acetate 757.51
    acetic acid 1761.74
    dichloromethane 2611.8
    cyclohexanone 1529.79
    propylene glycol 477.15
    isopropyl acetate 783.25
    DMAc 687.9
    2-ethoxyethanol 929.64
    isopentanol 754.78
    n-heptane 23.09
    ethyl formate 861.02
    1,2-dichloroethane 1843.83
    n-hexanol 543.04
    2-methoxyethanol 1827.57
    isobutyl acetate 417.94
    tetrachloromethane 251.45
    n-pentyl acetate 285.92
    transcutol 2841.67
    n-heptanol 131.01
    ethylbenzene 135.96
    MIBK 560.94
    2-propoxyethanol 1021.6
    tert-butanol 959.91
    MTBE 733.56
    2-butoxyethanol 362.27
    propionic acid 1017.9
    o-xylene 150.02
    formic acid 671.45
    diethyl ether 1027.41
    m-xylene 188.72
    p-xylene 176.68
    chlorobenzene 593.44
    dimethyl carbonate 299.47
    n-octane 7.95
    formamide 1025.66
    cyclopentanone 1699.15
    2-pentanone 1153.07
    anisole 406.21
    cyclopentyl methyl ether 830.83
    gamma-butyrolactone 1932.11
    1-methoxy-2-propanol 1190.43
    pyridine 1425.18
    3-pentanone 613.32
    furfural 1472.5
    n-dodecane 7.06
    diethylene glycol 956.53
    diisopropyl ether 213.16
    tert-amyl alcohol 559.28
    acetylacetone 1167.78
    n-hexadecane 8.51
    acetophenone 411.88
    methyl propionate 906.31
    isopentyl acetate 649.6
    trichloroethylene 2983.36
    n-nonanol 100.78
    cyclohexanol 662.33
    benzyl alcohol 437.73
    2-ethylhexanol 241.7
    isooctanol 108.29
    dipropyl ether 303.76
    1,2-dichlorobenzene 485.07
    ethyl lactate 282.42
    propylene carbonate 927.28
    n-methylformamide 1109.31
    2-pentanol 538.67
    n-pentane 42.75
    1-propoxy-2-propanol 645.19
    1-methoxy-2-propyl acetate 745.33
    2-(2-methoxypropoxy) propanol 351.28
    mesitylene 114.73
    ε-caprolactone 1203.99
    p-cymene 90.95
    epichlorohydrin 2184.64
    1,1,1-trichloroethane 1214.86
    2-aminoethanol 736.8
    morpholine-4-carbaldehyde 1036.32
    sulfolane 1755.37
    2,2,4-trimethylpentane 24.91
    2-methyltetrahydrofuran 1526.61
    n-hexyl acetate 367.27
    isooctane 24.11
    2-(2-butoxyethoxy)ethanol 525.68
    sec-butyl acetate 451.77
    tert-butyl acetate 680.15
    decalin 37.36
    glycerin 586.23
    diglyme 1040.08
    acrylic acid 868.94
    isopropyl myristate 121.49
    n-butyric acid 1453.68
    acetyl acetate 724.47
    di(2-ethylhexyl) phthalate 127.05
    ethyl propionate 540.54
    nitromethane 2780.28
    1,2-diethoxyethane 765.77
    benzonitrile 595.11
    trioctyl phosphate 84.83
    1-bromopropane 776.04
    gamma-valerolactone 1821.42
    n-decanol 72.86
    triethyl phosphate 160.65
    4-methyl-2-pentanol 267.64
    propionitrile 1006.17
    vinylene carbonate 804.48
    1,1,2-trichlorotrifluoroethane 1379.94
    DMS 426.79
    cumene 90.51
    2-octanol 80.36
    2-hexanone 661.56
    octyl acetate 141.89
    limonene 140.67
    1,2-dimethoxyethane 1253.9
    ethyl orthosilicate 158.62
    tributyl phosphate 127.22
    diacetone alcohol 735.82
    N,N-dimethylaniline 200.08
    acrylonitrile 1267.49
    aniline 523.36
    1,3-propanediol 1028.59
    bromobenzene 594.06
    dibromomethane 1549.03
    1,1,2,2-tetrachloroethane 1850.03
    2-methyl-cyclohexyl acetate 290.21
    tetrabutyl urea 142.38
    diisobutyl methanol 149.62
    2-phenylethanol 404.96
    styrene 224.5
    dioctyl adipate 202.04
    dimethyl sulfate 404.08
    ethyl butyrate 450.48
    methyl lactate 413.35
    butyl lactate 263.47
    diethyl carbonate 296.92
    propanediol butyl ether 380.73
    triethyl orthoformate 268.88
    p-tert-butyltoluene 86.39
    methyl 4-tert-butylbenzoate 220.09
    morpholine 1967.76
    tert-butylamine 546.93
    n-dodecanol 53.73
    dimethoxymethane 961.94
    ethylene carbonate 725.1
    cyrene 312.15
    2-ethoxyethyl acetate 549.96
    2-ethylhexyl acetate 437.87
    1,2,4-trichlorobenzene 597.81
    4-methylpyridine 1037.45
    dibutyl ether 209.56
    2,6-dimethyl-4-heptanol 149.62
    DEF 919.21
    dimethyl isosorbide 569.1
    tetrachloroethylene 1210.65
    eugenol 247.72
    triacetin 364.42
    span 80 279.23
    1,4-butanediol 340.85
    1,1-dichloroethane 1675.56
    2-methyl-1-pentanol 426.89
    methyl formate 828.93
    2-methyl-1-butanol 590.75
    n-decane 11.63
    butyronitrile 1051.09
    3,7-dimethyl-1-octanol 173.02
    1-chlorooctane 82.83
    1-chlorotetradecane 28.94
    n-nonane 10.9
    undecane 8.74
    tert-butylcyclohexane 32.23
    cyclooctane 22.51
    cyclopentanol 794.86
    tetrahydropyran 1531.4
    tert-amyl methyl ether 412.54
    2,5,8-trioxanonane 578.96
    1-hexene 226.25
    2-isopropoxyethanol 589.58
    2,2,2-trifluoroethanol 461.97
    methyl butyrate 755.62

    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