trans-2,3-Epoxyheptanal

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  • Identifiers

    Molecular formula
    C7H12O2

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

  • Odor profile

    Green 67.69%
    Citrus 59.64%
    Fatty 56.05%
    Fruity 47.29%
    Aldehydic 43.24%
    Fresh 34.59%
    Metallic 33.49%
    Grassy 24.71%
    Waxy 22.23%
    Buttery 22.2%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    191°C

    Flash point est.
    63.44 ˚C

  • Synonyms

    • trans-2,3-epoxyheptanal
    • SCHEMBL9379030
    • JSGLRFSEKUNPRD-RNFRBKRXSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 895.23
    methanol 1429.26
    isopropanol 485.71
    water 0.73
    ethyl acetate 749.57
    n-propanol 551.25
    acetone 1505.08
    n-butanol 474.88
    acetonitrile 924.29
    DMF 1252.69
    toluene 193.16
    isobutanol 353.92
    1,4-dioxane 773.27
    methyl acetate 812.03
    THF 1397.05
    2-butanone 908.09
    n-pentanol 284.06
    sec-butanol 362.95
    n-hexane 19.17
    ethylene glycol 331.13
    NMP 1068.27
    cyclohexane 43.41
    DMSO 2645.18
    n-butyl acetate 517.34
    n-octanol 83.57
    chloroform 1443.02
    n-propyl acetate 454.82
    acetic acid 1117.77
    dichloromethane 1791.37
    cyclohexanone 1076.02
    propylene glycol 340.82
    isopropyl acetate 343.48
    DMAc 646.94
    2-ethoxyethanol 528.79
    isopentanol 384.43
    n-heptane 13.4
    ethyl formate 582.38
    1,2-dichloroethane 1198.34
    n-hexanol 274.42
    2-methoxyethanol 1121.87
    isobutyl acetate 227.47
    tetrachloromethane 173.12
    n-pentyl acetate 193.27
    transcutol 1971.84
    n-heptanol 81.32
    ethylbenzene 107.1
    MIBK 308.75
    2-propoxyethanol 553.87
    tert-butanol 459.04
    MTBE 318.66
    2-butoxyethanol 246.36
    propionic acid 677.98
    o-xylene 123.66
    formic acid 594.64
    diethyl ether 353.52
    m-xylene 132.46
    p-xylene 135.38
    chlorobenzene 495.39
    dimethyl carbonate 232.33
    n-octane 4.56
    formamide 945.65
    cyclopentanone 1453.05
    2-pentanone 654.89
    anisole 307.54
    cyclopentyl methyl ether 483.41
    gamma-butyrolactone 1619.94
    1-methoxy-2-propanol 651.15
    pyridine 1009.22
    3-pentanone 365.55
    furfural 1461.72
    n-dodecane 3.99
    diethylene glycol 555.08
    diisopropyl ether 84.26
    tert-amyl alcohol 326.19
    acetylacetone 756.91
    n-hexadecane 4.85
    acetophenone 353.85
    methyl propionate 552.91
    isopentyl acetate 383.57
    trichloroethylene 2325.48
    n-nonanol 70.64
    cyclohexanol 370.11
    benzyl alcohol 319.89
    2-ethylhexanol 140.28
    isooctanol 67.13
    dipropyl ether 144.11
    1,2-dichlorobenzene 422.64
    ethyl lactate 193.8
    propylene carbonate 720.54
    n-methylformamide 1022.24
    2-pentanol 254.3
    n-pentane 19.96
    1-propoxy-2-propanol 348.75
    1-methoxy-2-propyl acetate 403.6
    2-(2-methoxypropoxy) propanol 258.58
    mesitylene 77.68
    ε-caprolactone 828.51
    p-cymene 69.28
    epichlorohydrin 1686.93
    1,1,1-trichloroethane 729.82
    2-aminoethanol 464.86
    morpholine-4-carbaldehyde 893.29
    sulfolane 1800.85
    2,2,4-trimethylpentane 14.13
    2-methyltetrahydrofuran 959.08
    n-hexyl acetate 263.29
    isooctane 12.02
    2-(2-butoxyethoxy)ethanol 387.26
    sec-butyl acetate 256.13
    tert-butyl acetate 316.14
    decalin 22.65
    glycerin 455.53
    diglyme 782.49
    acrylic acid 702.73
    isopropyl myristate 78.63
    n-butyric acid 781.67
    acetyl acetate 379.94
    di(2-ethylhexyl) phthalate 97.86
    ethyl propionate 329.85
    nitromethane 2037.84
    1,2-diethoxyethane 394.93
    benzonitrile 504.39
    trioctyl phosphate 63.46
    1-bromopropane 422.05
    gamma-valerolactone 1475.84
    n-decanol 50.26
    triethyl phosphate 115.51
    4-methyl-2-pentanol 137.72
    propionitrile 538.31
    vinylene carbonate 687.84
    1,1,2-trichlorotrifluoroethane 1173.8
    DMS 321.71
    cumene 68.45
    2-octanol 51.63
    2-hexanone 433.29
    octyl acetate 103.73
    limonene 97.83
    1,2-dimethoxyethane 783.57
    ethyl orthosilicate 104.57
    tributyl phosphate 96.42
    diacetone alcohol 429.52
    N,N-dimethylaniline 160.47
    acrylonitrile 904.8
    aniline 371.59
    1,3-propanediol 632.33
    bromobenzene 474.98
    dibromomethane 994.62
    1,1,2,2-tetrachloroethane 1376.26
    2-methyl-cyclohexyl acetate 193.72
    tetrabutyl urea 116.93
    diisobutyl methanol 85.54
    2-phenylethanol 275.24
    styrene 168.71
    dioctyl adipate 149.77
    dimethyl sulfate 403.3
    ethyl butyrate 279.94
    methyl lactate 291.36
    butyl lactate 193.88
    diethyl carbonate 193.16
    propanediol butyl ether 318.74
    triethyl orthoformate 162.98
    p-tert-butyltoluene 62.92
    methyl 4-tert-butylbenzoate 187.4
    morpholine 1077.63
    tert-butylamine 230.04
    n-dodecanol 36.45
    dimethoxymethane 565.57
    ethylene carbonate 512.5
    cyrene 276.66
    2-ethoxyethyl acetate 356.71
    2-ethylhexyl acetate 274.07
    1,2,4-trichlorobenzene 516.03
    4-methylpyridine 800.76
    dibutyl ether 115.83
    2,6-dimethyl-4-heptanol 85.54
    DEF 586.22
    dimethyl isosorbide 428.01
    tetrachloroethylene 891.17
    eugenol 211.96
    triacetin 284.82
    span 80 200.13
    1,4-butanediol 216.86
    1,1-dichloroethane 963.79
    2-methyl-1-pentanol 252.6
    methyl formate 765.57
    2-methyl-1-butanol 328.38
    n-decane 6.64
    butyronitrile 542.18
    3,7-dimethyl-1-octanol 114.86
    1-chlorooctane 52.67
    1-chlorotetradecane 18.59
    n-nonane 6.36
    undecane 5.0
    tert-butylcyclohexane 18.98
    cyclooctane 12.31
    cyclopentanol 467.82
    tetrahydropyran 758.21
    tert-amyl methyl ether 203.42
    2,5,8-trioxanonane 446.81
    1-hexene 106.75
    2-isopropoxyethanol 318.89
    2,2,2-trifluoroethanol 343.43
    methyl butyrate 522.51

    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