Undeca-4,7-dienal

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  • Identifiers

    CAS number
    112805-89-7

    Molecular formula
    C11H18O

    SMILES
    CCCC=CCC=CCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 71.02%
    Citrus 60.62%
    Waxy 44.74%
    Aldehydic 43.16%
    Green 42.47%
    Fruity 41.99%
    Melon 41.51%
    Oily 38.34%
    Cucumber 38.27%
    Fresh 36.29%

     

    Flavor
    Fatty 34.17%
    Melon 27.98%
    Cucumber 27.59%
    Citrus 24.7%
    Pumpkin 21.18%
    Biscuit 20.98%
    Honeydew 20.34%
    Green 19.88%
    Dewy 19.8%
    Oriental 19.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.4 (neutral)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    222°C

    Flash point

    • 111.79 ˚C est.

  • Synonyms

    • undeca-4,7-dienal
    • 112805-89-7
    • DTXSID10764560
    • 112805-89-7

  • Applications

    Undeca-4,7-dienal (CAS 112805-89-7) is used primarily as an odorant and fragrance ingredient in perfumery and consumer care; it can serve as a reactive intermediate in fragrance chemistry and related organic synthesis; it is evaluated for use in cosmetics/personal care and household products to contribute scent profiles; in industrial manufacturing it may function as a chemical intermediate for the synthesis of specialty materials; in polymers/plastics and coatings/inks formulations, it may be employed as a fragrance additive or scent-related functional component; use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1738.46
    methanol 1495.39
    isopropanol 1374.01
    water 0.03
    ethyl acetate 1660.82
    n-propanol 1344.79
    acetone 2202.01
    n-butanol 1320.77
    acetonitrile 1000.81
    DMF 1005.93
    toluene 591.45
    isobutanol 863.2
    1,4-dioxane 1640.18
    methyl acetate 981.64
    THF 2744.45
    2-butanone 1602.84
    n-pentanol 981.04
    sec-butanol 1090.03
    n-hexane 633.35
    ethylene glycol 120.23
    NMP 722.95
    cyclohexane 570.6
    DMSO 2181.88
    n-butyl acetate 1449.61
    n-octanol 296.82
    chloroform 2146.38
    n-propyl acetate 1143.94
    acetic acid 647.16
    dichloromethane 2586.48
    cyclohexanone 1767.79
    propylene glycol 261.06
    isopropyl acetate 916.69
    DMAc 648.24
    2-ethoxyethanol 861.85
    isopentanol 1089.48
    n-heptane 275.39
    ethyl formate 518.3
    1,2-dichloroethane 2007.01
    n-hexanol 1116.04
    2-methoxyethanol 1315.28
    isobutyl acetate 639.51
    tetrachloromethane 378.82
    n-pentyl acetate 563.88
    transcutol 3533.06
    n-heptanol 305.65
    ethylbenzene 330.85
    MIBK 812.68
    2-propoxyethanol 1229.96
    tert-butanol 1443.79
    MTBE 1519.91
    2-butoxyethanol 527.81
    propionic acid 589.57
    o-xylene 279.04
    formic acid 94.9
    diethyl ether 2480.04
    m-xylene 370.43
    p-xylene 349.07
    chlorobenzene 621.03
    dimethyl carbonate 177.31
    n-octane 72.75
    formamide 163.39
    cyclopentanone 1582.96
    2-pentanone 1630.26
    anisole 529.33
    cyclopentyl methyl ether 1498.22
    gamma-butyrolactone 1229.8
    1-methoxy-2-propanol 1152.97
    pyridine 1345.99
    3-pentanone 942.82
    furfural 821.13
    n-dodecane 37.77
    diethylene glycol 540.19
    diisopropyl ether 553.87
    tert-amyl alcohol 1010.07
    acetylacetone 1052.94
    n-hexadecane 44.51
    acetophenone 452.14
    methyl propionate 896.74
    isopentyl acetate 1117.5
    trichloroethylene 2507.61
    n-nonanol 262.98
    cyclohexanol 970.96
    benzyl alcohol 417.83
    2-ethylhexanol 678.55
    isooctanol 276.35
    dipropyl ether 1293.0
    1,2-dichlorobenzene 510.39
    ethyl lactate 271.88
    propylene carbonate 650.79
    n-methylformamide 455.39
    2-pentanol 1014.96
    n-pentane 381.5
    1-propoxy-2-propanol 1077.07
    1-methoxy-2-propyl acetate 855.96
    2-(2-methoxypropoxy) propanol 475.94
    mesitylene 243.01
    ε-caprolactone 1166.06
    p-cymene 200.71
    epichlorohydrin 1840.97
    1,1,1-trichloroethane 1452.97
    2-aminoethanol 363.94
    morpholine-4-carbaldehyde 863.61
    sulfolane 1313.63
    2,2,4-trimethylpentane 105.69
    2-methyltetrahydrofuran 2303.46
    n-hexyl acetate 688.36
    isooctane 102.5
    2-(2-butoxyethoxy)ethanol 703.95
    sec-butyl acetate 681.2
    tert-butyl acetate 888.43
    decalin 184.06
    glycerin 250.14
    diglyme 1331.87
    acrylic acid 324.1
    isopropyl myristate 258.27
    n-butyric acid 1182.36
    acetyl acetate 566.25
    di(2-ethylhexyl) phthalate 181.76
    ethyl propionate 817.52
    nitromethane 932.03
    1,2-diethoxyethane 1698.53
    benzonitrile 554.8
    trioctyl phosphate 139.13
    1-bromopropane 1874.97
    gamma-valerolactone 1482.59
    n-decanol 189.04
    triethyl phosphate 251.43
    4-methyl-2-pentanol 459.31
    propionitrile 954.73
    vinylene carbonate 504.38
    1,1,2-trichlorotrifluoroethane 906.04
    DMS 398.12
    cumene 202.48
    2-octanol 210.05
    2-hexanone 1234.79
    octyl acetate 288.98
    limonene 401.94
    1,2-dimethoxyethane 1590.21
    ethyl orthosilicate 272.93
    tributyl phosphate 202.51
    diacetone alcohol 765.58
    N,N-dimethylaniline 323.02
    acrylonitrile 805.75
    aniline 586.14
    1,3-propanediol 584.71
    bromobenzene 732.84
    dibromomethane 2103.01
    1,1,2,2-tetrachloroethane 1951.89
    2-methyl-cyclohexyl acetate 498.92
    tetrabutyl urea 254.13
    diisobutyl methanol 371.59
    2-phenylethanol 457.7
    styrene 463.54
    dioctyl adipate 341.57
    dimethyl sulfate 267.92
    ethyl butyrate 913.24
    methyl lactate 251.1
    butyl lactate 352.67
    diethyl carbonate 437.65
    propanediol butyl ether 409.99
    triethyl orthoformate 511.73
    p-tert-butyltoluene 195.5
    methyl 4-tert-butylbenzoate 316.59
    morpholine 2228.75
    tert-butylamine 1056.18
    n-dodecanol 144.4
    dimethoxymethane 1016.85
    ethylene carbonate 476.17
    cyrene 327.37
    2-ethoxyethyl acetate 670.64
    2-ethylhexyl acetate 823.64
    1,2,4-trichlorobenzene 537.51
    4-methylpyridine 1239.46
    dibutyl ether 894.24
    2,6-dimethyl-4-heptanol 371.59
    DEF 1226.37
    dimethyl isosorbide 725.56
    tetrachloroethylene 1247.82
    eugenol 317.4
    triacetin 486.44
    span 80 432.07
    1,4-butanediol 220.12
    1,1-dichloroethane 1927.71
    2-methyl-1-pentanol 767.92
    methyl formate 266.96
    2-methyl-1-butanol 914.37
    n-decane 77.11
    butyronitrile 1294.19
    3,7-dimethyl-1-octanol 362.59
    1-chlorooctane 292.81
    1-chlorotetradecane 96.89
    n-nonane 88.74
    undecane 51.38
    tert-butylcyclohexane 173.27
    cyclooctane 159.52
    cyclopentanol 808.14
    tetrahydropyran 2843.11
    tert-amyl methyl ether 932.91
    2,5,8-trioxanonane 798.58
    1-hexene 1593.1
    2-isopropoxyethanol 667.69
    2,2,2-trifluoroethanol 107.77
    methyl butyrate 1109.88

    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