(E)-4-Undecenal

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  • Identifiers

    CAS number
    68820-35-9

    Molecular formula
    C11H20O

    SMILES
    CCCCCC/C=C/CCC=O

  • Odor profile

    Fragrance
    Citrus 78.74%
    Fatty 71.34%
    Waxy 66.96%
    Aldehydic 63.2%
    Fruity 59.88%
    Green 59.1%
    Orange 55.93%
    Floral 55.5%
    Fresh 53.09%
    Cucumber 45.24%

     

    Flavor
    Waxy 48.21%
    Citrus 47.58%
    Fatty 46.57%
    Melon 38.67%
    Cucumber 37.86%
    Aldehydic 37.43%
    Green 35.27%
    Fresh 33.93%
    Orange 30.99%
    Rose 27.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.41 (neutral)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 102.79 ˚C est.

    Solubility expt.

    • Insoluble in water, Soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • (E)-4-Undecenal
    • trans-Undec-4-enal
    • (E)-undec-4-enal
    • 68820-35-9
    • 4-Undecenal, (4E)-
    • (4E)-4-Undecenal
    • UNII-P8DLC679QJ
    • P8DLC679QJ
    • J530.257I
    • 4-UNDECENAL, (E)-
    • FEMA NO. 4672
    • DTXSID101020026
    • LMFA06000066
    • SCHEMBL7289813
    • SCHEMBL23209673
    • DTXCID20965763
    • AKOS040749872
    • NS00124660
    • Q27286371

  • Applications

    (E)-4-Undecenal (CAS 68820-35-9) is used as an odorant and fragrance ingredient in perfumery to impart distinct notes. It is also employed in cosmetics and personal care formulations as a fragrance component. In household products such as cleaners and air fresheners, it can act as a scent additive. Industrially, it serves as a chemical intermediate for the synthesis of other fragrance-related compounds and may appear as a fragrance additive in coatings, inks, and plastics formulations, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3398.44
    methanol 2779.1
    isopropanol 3121.53
    water 0.02
    ethyl acetate 3765.77
    n-propanol 2911.65
    acetone 4811.39
    n-butanol 2897.81
    acetonitrile 2028.52
    DMF 1885.27
    toluene 1221.43
    isobutanol 1975.25
    1,4-dioxane 3355.74
    methyl acetate 1939.64
    THF 6059.75
    2-butanone 3747.77
    n-pentanol 2085.9
    sec-butanol 2539.96
    n-hexane 1741.69
    ethylene glycol 174.13
    NMP 1315.27
    cyclohexane 1515.77
    DMSO 3956.06
    n-butyl acetate 3121.21
    n-octanol 586.84
    chloroform 3894.18
    n-propyl acetate 2562.32
    acetic acid 1067.6
    dichloromethane 4728.89
    cyclohexanone 3964.69
    propylene glycol 434.39
    isopropyl acetate 2138.78
    DMAc 1099.34
    2-ethoxyethanol 1716.62
    isopentanol 2501.66
    n-heptane 654.0
    ethyl formate 1059.82
    1,2-dichloroethane 3982.16
    n-hexanol 2257.74
    2-methoxyethanol 2689.78
    isobutyl acetate 1311.64
    tetrachloromethane 778.37
    n-pentyl acetate 1267.61
    transcutol 6272.21
    n-heptanol 628.44
    ethylbenzene 650.03
    MIBK 1826.25
    2-propoxyethanol 2451.53
    tert-butanol 3320.96
    MTBE 3811.5
    2-butoxyethanol 1034.37
    propionic acid 1103.75
    o-xylene 547.52
    formic acid 143.92
    diethyl ether 5851.3
    m-xylene 738.97
    p-xylene 669.36
    chlorobenzene 1176.96
    dimethyl carbonate 301.79
    n-octane 166.4
    formamide 271.42
    cyclopentanone 3292.67
    2-pentanone 3904.92
    anisole 968.72
    cyclopentyl methyl ether 3576.73
    gamma-butyrolactone 2463.54
    1-methoxy-2-propanol 2411.52
    pyridine 2694.76
    3-pentanone 2127.67
    furfural 1447.8
    n-dodecane 71.15
    diethylene glycol 936.9
    diisopropyl ether 1421.54
    tert-amyl alcohol 2313.13
    acetylacetone 2130.04
    n-hexadecane 84.95
    acetophenone 782.78
    methyl propionate 1846.33
    isopentyl acetate 2390.61
    trichloroethylene 4492.21
    n-nonanol 510.38
    cyclohexanol 2278.14
    benzyl alcohol 758.25
    2-ethylhexanol 1442.33
    isooctanol 574.5
    dipropyl ether 2997.27
    1,2-dichlorobenzene 918.85
    ethyl lactate 478.68
    propylene carbonate 1203.52
    n-methylformamide 905.56
    2-pentanol 2322.31
    n-pentane 994.91
    1-propoxy-2-propanol 2236.6
    1-methoxy-2-propyl acetate 1815.72
    2-(2-methoxypropoxy) propanol 768.65
    mesitylene 481.54
    ε-caprolactone 2510.1
    p-cymene 386.62
    epichlorohydrin 3665.31
    1,1,1-trichloroethane 2974.66
    2-aminoethanol 636.59
    morpholine-4-carbaldehyde 1581.88
    sulfolane 2443.49
    2,2,4-trimethylpentane 240.44
    2-methyltetrahydrofuran 5610.43
    n-hexyl acetate 1418.4
    isooctane 236.32
    2-(2-butoxyethoxy)ethanol 1209.43
    sec-butyl acetate 1509.26
    tert-butyl acetate 1965.23
    decalin 405.21
    glycerin 390.53
    diglyme 2343.77
    acrylic acid 567.37
    isopropyl myristate 466.91
    n-butyric acid 2533.04
    acetyl acetate 1065.96
    di(2-ethylhexyl) phthalate 289.61
    ethyl propionate 1768.43
    nitromethane 1653.25
    1,2-diethoxyethane 3540.09
    benzonitrile 1030.37
    trioctyl phosphate 239.78
    1-bromopropane 4002.44
    gamma-valerolactone 3056.33
    n-decanol 359.45
    triethyl phosphate 447.76
    4-methyl-2-pentanol 1030.91
    propionitrile 2111.95
    vinylene carbonate 885.88
    1,1,2-trichlorotrifluoroethane 1637.03
    DMS 662.82
    cumene 379.34
    2-octanol 458.83
    2-hexanone 2721.79
    octyl acetate 518.44
    limonene 843.8
    1,2-dimethoxyethane 3330.23
    ethyl orthosilicate 504.09
    tributyl phosphate 361.5
    diacetone alcohol 1557.46
    N,N-dimethylaniline 559.45
    acrylonitrile 1636.47
    aniline 1200.22
    1,3-propanediol 1127.05
    bromobenzene 1396.06
    dibromomethane 4016.24
    1,1,2,2-tetrachloroethane 3537.36
    2-methyl-cyclohexyl acetate 936.37
    tetrabutyl urea 428.53
    diisobutyl methanol 782.38
    2-phenylethanol 855.89
    styrene 894.39
    dioctyl adipate 583.4
    dimethyl sulfate 423.23
    ethyl butyrate 1946.33
    methyl lactate 443.37
    butyl lactate 673.41
    diethyl carbonate 822.47
    propanediol butyl ether 722.57
    triethyl orthoformate 1017.04
    p-tert-butyltoluene 375.23
    methyl 4-tert-butylbenzoate 529.07
    morpholine 4892.12
    tert-butylamine 2541.08
    n-dodecanol 265.66
    dimethoxymethane 2015.21
    ethylene carbonate 875.44
    cyrene 502.77
    2-ethoxyethyl acetate 1371.93
    2-ethylhexyl acetate 1802.47
    1,2,4-trichlorobenzene 929.6
    4-methylpyridine 2576.6
    dibutyl ether 2063.96
    2,6-dimethyl-4-heptanol 782.38
    DEF 2654.64
    dimethyl isosorbide 1213.22
    tetrachloroethylene 2326.78
    eugenol 497.56
    triacetin 823.84
    span 80 736.26
    1,4-butanediol 392.51
    1,1-dichloroethane 4155.94
    2-methyl-1-pentanol 1643.12
    methyl formate 477.57
    2-methyl-1-butanol 2052.75
    n-decane 162.35
    butyronitrile 2914.03
    3,7-dimethyl-1-octanol 743.2
    1-chlorooctane 606.68
    1-chlorotetradecane 178.18
    n-nonane 198.67
    undecane 101.18
    tert-butylcyclohexane 375.84
    cyclooctane 408.92
    cyclopentanol 1870.68
    tetrahydropyran 6794.95
    tert-amyl methyl ether 2223.31
    2,5,8-trioxanonane 1279.45
    1-hexene 3930.57
    2-isopropoxyethanol 1321.88
    2,2,2-trifluoroethanol 168.63
    methyl butyrate 2374.47

    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