Undeca-3,6-dienal

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  • Identifiers

    CAS number
    60671-76-3

    Molecular formula
    C11H18O

    SMILES
    CCCCC=CCC=CCC=O

  • Odor profile

    Fatty 72.1%
    Citrus 56.19%
    Green 47.89%
    Melon 39.63%
    Waxy 39.27%
    Oily 37.9%
    Cucumber 37.62%
    Aldehydic 37.13%
    Fruity 34.9%
    Fishy 33.74%

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  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point est.
    111.65 ˚C

  • Applications

    Undeca-3,6-dienal (CAS 60671-76-3) is an unsaturated aliphatic aldehyde used mainly in flavors and fragrances to build and fine-tune aldehydic, green, citrus-peel nuances, as a sensory/analytical reference standard, and as a versatile intermediate: it can be reduced to the corresponding alcohol, oxidized to the acid, transformed via epoxidation or ozonolysis at its C=C bonds, or condensed with amines to form Schiff bases; it is also employed in R&D for organic surface/material functionalization as a –CHO linker, in structure–odor relationship studies of long-chain dienals, and as a test substrate for reaction selectivity with unsaturated aldehydes; typically applied at trace levels in consumer formulations and handled under cool, inert, stabilized conditions because it is prone to oxidation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1961.95
    methanol 1663.17
    isopropanol 1495.38
    water 0.03
    ethyl acetate 1471.16
    n-propanol 1487.29
    acetone 2073.77
    n-butanol 1353.39
    acetonitrile 954.33
    DMF 1027.18
    toluene 528.98
    isobutanol 910.16
    1,4-dioxane 1595.32
    methyl acetate 900.29
    THF 2554.89
    2-butanone 1515.07
    n-pentanol 991.43
    sec-butanol 1124.31
    n-hexane 528.57
    ethylene glycol 143.59
    NMP 666.14
    cyclohexane 506.14
    DMSO 2286.65
    n-butyl acetate 1248.45
    n-octanol 262.17
    chloroform 1949.79
    n-propyl acetate 988.03
    acetic acid 647.37
    dichloromethane 2226.13
    cyclohexanone 1606.94
    propylene glycol 331.41
    isopropyl acetate 775.25
    DMAc 626.45
    2-ethoxyethanol 888.09
    isopentanol 1061.94
    n-heptane 237.91
    ethyl formate 484.51
    1,2-dichloroethane 1791.29
    n-hexanol 1099.76
    2-methoxyethanol 1406.67
    isobutyl acetate 555.77
    tetrachloromethane 331.17
    n-pentyl acetate 467.19
    transcutol 3219.22
    n-heptanol 291.78
    ethylbenzene 289.05
    MIBK 722.99
    2-propoxyethanol 1199.51
    tert-butanol 1473.58
    MTBE 1362.93
    2-butoxyethanol 500.62
    propionic acid 609.66
    o-xylene 254.54
    formic acid 105.0
    diethyl ether 2156.61
    m-xylene 333.8
    p-xylene 300.24
    chlorobenzene 544.23
    dimethyl carbonate 162.63
    n-octane 59.75
    formamide 177.13
    cyclopentanone 1456.62
    2-pentanone 1466.15
    anisole 473.73
    cyclopentyl methyl ether 1321.35
    gamma-butyrolactone 1127.24
    1-methoxy-2-propanol 1204.56
    pyridine 1268.54
    3-pentanone 834.22
    furfural 755.01
    n-dodecane 31.35
    diethylene glycol 564.12
    diisopropyl ether 469.18
    tert-amyl alcohol 975.77
    acetylacetone 949.01
    n-hexadecane 36.67
    acetophenone 405.6
    methyl propionate 806.24
    isopentyl acetate 971.14
    trichloroethylene 2218.95
    n-nonanol 230.56
    cyclohexanol 952.8
    benzyl alcohol 405.49
    2-ethylhexanol 625.1
    isooctanol 254.91
    dipropyl ether 1117.64
    1,2-dichlorobenzene 450.59
    ethyl lactate 259.35
    propylene carbonate 581.07
    n-methylformamide 475.06
    2-pentanol 994.5
    n-pentane 335.7
    1-propoxy-2-propanol 1023.5
    1-methoxy-2-propyl acetate 772.05
    2-(2-methoxypropoxy) propanol 436.34
    mesitylene 213.55
    ε-caprolactone 1043.45
    p-cymene 175.87
    epichlorohydrin 1686.09
    1,1,1-trichloroethane 1275.96
    2-aminoethanol 429.96
    morpholine-4-carbaldehyde 816.18
    sulfolane 1235.86
    2,2,4-trimethylpentane 91.32
    2-methyltetrahydrofuran 2055.34
    n-hexyl acetate 569.93
    isooctane 88.04
    2-(2-butoxyethoxy)ethanol 653.57
    sec-butyl acetate 588.42
    tert-butyl acetate 753.53
    decalin 156.77
    glycerin 290.12
    diglyme 1229.97
    acrylic acid 335.74
    isopropyl myristate 218.09
    n-butyric acid 1126.02
    acetyl acetate 492.12
    di(2-ethylhexyl) phthalate 160.05
    ethyl propionate 721.87
    nitromethane 910.22
    1,2-diethoxyethane 1486.13
    benzonitrile 501.96
    trioctyl phosphate 121.2
    1-bromopropane 1630.29
    gamma-valerolactone 1375.73
    n-decanol 168.13
    triethyl phosphate 217.93
    4-methyl-2-pentanol 428.9
    propionitrile 925.96
    vinylene carbonate 459.49
    1,1,2-trichlorotrifluoroethane 884.33
    DMS 342.35
    cumene 178.1
    2-octanol 189.21
    2-hexanone 1112.61
    octyl acetate 242.86
    limonene 351.97
    1,2-dimethoxyethane 1510.21
    ethyl orthosilicate 236.6
    tributyl phosphate 173.4
    diacetone alcohol 719.08
    N,N-dimethylaniline 286.72
    acrylonitrile 789.83
    aniline 561.23
    1,3-propanediol 658.62
    bromobenzene 624.72
    dibromomethane 1792.16
    1,1,2,2-tetrachloroethane 1794.53
    2-methyl-cyclohexyl acetate 427.52
    tetrabutyl urea 218.47
    diisobutyl methanol 334.94
    2-phenylethanol 436.96
    styrene 398.81
    dioctyl adipate 294.0
    dimethyl sulfate 246.93
    ethyl butyrate 785.19
    methyl lactate 255.75
    butyl lactate 312.62
    diethyl carbonate 372.97
    propanediol butyl ether 390.15
    triethyl orthoformate 442.49
    p-tert-butyltoluene 173.52
    methyl 4-tert-butylbenzoate 279.13
    morpholine 2226.22
    tert-butylamine 1045.66
    n-dodecanol 127.77
    dimethoxymethane 987.66
    ethylene carbonate 426.07
    cyrene 298.89
    2-ethoxyethyl acetate 572.52
    2-ethylhexyl acetate 699.6
    1,2,4-trichlorobenzene 477.24
    4-methylpyridine 1102.89
    dibutyl ether 735.78
    2,6-dimethyl-4-heptanol 334.94
    DEF 1104.18
    dimethyl isosorbide 654.29
    tetrachloroethylene 1139.01
    eugenol 288.89
    triacetin 421.84
    span 80 398.99
    1,4-butanediol 244.5
    1,1-dichloroethane 1730.43
    2-methyl-1-pentanol 727.05
    methyl formate 270.11
    2-methyl-1-butanol 908.19
    n-decane 63.36
    butyronitrile 1192.85
    3,7-dimethyl-1-octanol 327.58
    1-chlorooctane 241.84
    1-chlorotetradecane 83.17
    n-nonane 72.47
    undecane 42.62
    tert-butylcyclohexane 146.83
    cyclooctane 137.81
    cyclopentanol 819.71
    tetrahydropyran 2674.13
    tert-amyl methyl ether 830.77
    2,5,8-trioxanonane 744.27
    1-hexene 1366.46
    2-isopropoxyethanol 647.3
    2,2,2-trifluoroethanol 106.0
    methyl butyrate 968.57

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1 3

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

Botanical

Name CAS Botanical Proportion
Cilantro (Coriander leaf) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 3.42%