5-Octenal, (5E)-

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  • Identifiers

    CAS number
    41547-29-9

    Molecular formula
    C8H14O

    SMILES
    CC/C=C/CCCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 88.88%
    Fatty 68.79%
    Melon 64.16%
    Fruity 61.01%
    Fresh 61.0%
    Cucumber 57.46%
    Vegetable 51.5%
    Aldehydic 49.47%
    Citrus 47.33%
    Waxy 46.34%

     

    Flavor
    Green 77.9%
    Fatty 67.69%
    Cucumber 52.06%
    Melon 50.87%
    Waxy 49.34%
    Fresh 48.56%
    Aldehydic 41.64%
    Vegetable 38.25%
    Citrus 37.48%
    Fat 36.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.51 (neutral)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 62.00 °C. @ 760.00 mm Hg

    Flash point

    • 64.74 ˚C est.

    Solubility expt.

    • slightly

  • Synonyms

    • trans-5-Octenal
    • (z)-5-octenal
    • 5-Octenal, (E)-
    • 5-Octenal, (5E)-
    • 57X58IF79Z
    • 41547-29-9
    • FEMA NO. 4898
    • RefChem:537493
    • 639-101-5
    • 5-octenal
    • oct-5-enal
    • (E)-oct-5-enal
    • UNII-57X58IF79Z
    • (5z)-5-octenal
    • LMFA06000032
    • (5E)-5-octenal
    • oct-5-en-1-al
    • SCHEMBL515426
    • SCHEMBL2162940
    • FEMA 3749
    • CHEBI:142079
    • CHEBI:195677
    • EN300-1851515
    • Q27261530
    • 41547-29-9

  • Applications

    5-Octenal, (5E)- (CAS 41547-29-9) is an eight-carbon aldehyde primarily used as a fragrance and aroma compound in the fragrance industry, contributing green, aldehydic notes characteristic of this class. In perfumery and personal care products, it serves as a fragrance ingredient. It may be used as an aroma component in flavor formulations for foods and beverages, providing subtle odor notes. In cosmetics and household products, it can be included as a scent additive. In industrial manufacturing, 5-Octenal can function as an intermediate for the synthesis of more complex fragrance materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3998.11
    methanol 4418.2
    isopropanol 3082.4
    water 0.26
    ethyl acetate 2757.88
    n-propanol 3029.48
    acetone 5146.54
    n-butanol 2864.46
    acetonitrile 2535.21
    DMF 2749.6
    toluene 1038.18
    isobutanol 1976.83
    1,4-dioxane 2786.94
    methyl acetate 1896.46
    THF 4685.94
    2-butanone 3074.1
    n-pentanol 1730.59
    sec-butanol 2180.68
    n-hexane 1219.46
    ethylene glycol 366.5
    NMP 2223.12
    cyclohexane 1040.26
    DMSO 4734.02
    n-butyl acetate 2527.13
    n-octanol 664.41
    chloroform 3959.5
    n-propyl acetate 1880.4
    acetic acid 1947.0
    dichloromethane 4346.23
    cyclohexanone 3684.89
    propylene glycol 591.88
    isopropyl acetate 1393.54
    DMAc 1164.22
    2-ethoxyethanol 1375.0
    isopentanol 2008.29
    n-heptane 514.7
    ethyl formate 1171.66
    1,2-dichloroethane 3044.96
    n-hexanol 2081.63
    2-methoxyethanol 2458.12
    isobutyl acetate 921.8
    tetrachloromethane 905.02
    n-pentyl acetate 1008.29
    transcutol 5104.2
    n-heptanol 587.2
    ethylbenzene 552.34
    MIBK 1178.12
    2-propoxyethanol 2070.29
    tert-butanol 2881.18
    MTBE 2358.89
    2-butoxyethanol 912.46
    propionic acid 1831.17
    o-xylene 483.76
    formic acid 358.3
    diethyl ether 3490.09
    m-xylene 641.11
    p-xylene 633.85
    chlorobenzene 1359.34
    dimethyl carbonate 365.72
    n-octane 143.68
    formamide 584.03
    cyclopentanone 3786.41
    2-pentanone 2826.43
    anisole 869.68
    cyclopentyl methyl ether 2659.08
    gamma-butyrolactone 3150.38
    1-methoxy-2-propanol 1917.84
    pyridine 2781.67
    3-pentanone 1662.88
    furfural 1874.09
    n-dodecane 73.76
    diethylene glycol 1021.74
    diisopropyl ether 788.59
    tert-amyl alcohol 1970.08
    acetylacetone 1818.27
    n-hexadecane 84.72
    acetophenone 739.96
    methyl propionate 1682.49
    isopentyl acetate 1695.75
    trichloroethylene 4441.35
    n-nonanol 522.11
    cyclohexanol 2162.52
    benzyl alcohol 726.42
    2-ethylhexanol 1186.16
    isooctanol 491.67
    dipropyl ether 1785.85
    1,2-dichlorobenzene 1025.3
    ethyl lactate 437.24
    propylene carbonate 1456.07
    n-methylformamide 1600.17
    2-pentanol 1892.18
    n-pentane 752.52
    1-propoxy-2-propanol 1768.5
    1-methoxy-2-propyl acetate 1244.81
    2-(2-methoxypropoxy) propanol 732.63
    mesitylene 386.54
    ε-caprolactone 2443.11
    p-cymene 332.18
    epichlorohydrin 3020.5
    1,1,1-trichloroethane 2677.51
    2-aminoethanol 911.71
    morpholine-4-carbaldehyde 1659.22
    sulfolane 3374.17
    2,2,4-trimethylpentane 194.16
    2-methyltetrahydrofuran 4243.68
    n-hexyl acetate 1277.11
    isooctane 179.39
    2-(2-butoxyethoxy)ethanol 1136.32
    sec-butyl acetate 986.21
    tert-butyl acetate 1263.94
    decalin 305.92
    glycerin 593.88
    diglyme 1972.46
    acrylic acid 1196.9
    isopropyl myristate 399.98
    n-butyric acid 2837.26
    acetyl acetate 930.0
    di(2-ethylhexyl) phthalate 316.62
    ethyl propionate 1263.11
    nitromethane 2539.54
    1,2-diethoxyethane 2229.89
    benzonitrile 1204.88
    trioctyl phosphate 246.96
    1-bromopropane 2825.83
    gamma-valerolactone 3034.42
    n-decanol 368.37
    triethyl phosphate 367.61
    4-methyl-2-pentanol 763.21
    propionitrile 2170.37
    vinylene carbonate 1201.65
    1,1,2-trichlorotrifluoroethane 1711.29
    DMS 678.17
    cumene 322.02
    2-octanol 445.84
    2-hexanone 2050.79
    octyl acetate 487.29
    limonene 662.01
    1,2-dimethoxyethane 2304.76
    ethyl orthosilicate 398.69
    tributyl phosphate 357.67
    diacetone alcohol 1188.66
    N,N-dimethylaniline 487.51
    acrylonitrile 2151.01
    aniline 1230.64
    1,3-propanediol 1379.22
    bromobenzene 1523.85
    dibromomethane 3505.99
    1,1,2,2-tetrachloroethane 3212.05
    2-methyl-cyclohexyl acetate 739.27
    tetrabutyl urea 447.16
    diisobutyl methanol 605.81
    2-phenylethanol 803.09
    styrene 817.57
    dioctyl adipate 543.35
    dimethyl sulfate 558.47
    ethyl butyrate 1374.51
    methyl lactate 502.88
    butyl lactate 652.43
    diethyl carbonate 634.4
    propanediol butyl ether 868.97
    triethyl orthoformate 737.16
    p-tert-butyltoluene 316.09
    methyl 4-tert-butylbenzoate 528.99
    morpholine 3765.29
    tert-butylamine 2157.91
    n-dodecanol 276.06
    dimethoxymethane 1603.59
    ethylene carbonate 1041.39
    cyrene 523.56
    2-ethoxyethyl acetate 1093.09
    2-ethylhexyl acetate 1308.47
    1,2,4-trichlorobenzene 1039.87
    4-methylpyridine 2545.58
    dibutyl ether 1489.02
    2,6-dimethyl-4-heptanol 605.81
    DEF 2192.94
    dimethyl isosorbide 1113.81
    tetrachloroethylene 2271.52
    eugenol 550.74
    triacetin 790.09
    span 80 756.75
    1,4-butanediol 496.17
    1,1-dichloroethane 3450.03
    2-methyl-1-pentanol 1287.76
    methyl formate 928.29
    2-methyl-1-butanol 1779.36
    n-decane 147.81
    butyronitrile 2598.35
    3,7-dimethyl-1-octanol 681.34
    1-chlorooctane 546.54
    1-chlorotetradecane 171.84
    n-nonane 177.12
    undecane 99.56
    tert-butylcyclohexane 297.32
    cyclooctane 277.27
    cyclopentanol 2263.45
    tetrahydropyran 4775.78
    tert-amyl methyl ether 1374.81
    2,5,8-trioxanonane 1167.24
    1-hexene 2680.82
    2-isopropoxyethanol 1022.81
    2,2,2-trifluoroethanol 362.63
    methyl butyrate 1816.4

    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