(3E)-undeca-1,3-dien-5-yne

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  • Identifiers

    CAS number
    166432-52-6

    Molecular formula
    C11H16

    SMILES
    CCCCCC#C/C=C/C=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 84.02%
    Fruity 70.28%
    Floral 60.65%
    Tropical 45.98%
    Leafy 42.87%
    Fresh 37.67%
    Violet 35.32%
    Melon 34.73%
    Fatty 34.17%
    Citrus 33.66%

     

    Flavor
    Oriental 22.59%
    Nitrile 21.0%
    Low 19.93%
    Diterpene 19.92%
    Pumpkin 19.29%
    Terpentine 19.19%
    Mouldy 18.68%
    Sandalwood 18.67%
    Opoponax 18.62%
    Bloody 18.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.93 (neutral)

    Molecular weight
    148.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    211°C

    Flash point

    • 75.54 ˚C est.

  • Synonyms

    • 1,3-Undecadien-5-yne
    • (3E)-undeca-1,3-dien-5-yne
    • 166432-52-6
    • DTXSID6051776
    • (3E)-1,3-undecadien-5-yne
    • Q3K23C2DX6
    • DTXCID9030331
    • VJCOQIJZYGQPKM-FNORWQNLSA-N
    • 1,3-Undecadien-5-yne, (3E)-
    • 56318-81-1
    • 605-441-8
    • Violettyne

  • Applications

    For (3E)-undeca-1,3-dien-5-yne (CAS 166432-52-6), it is primarily used as a reactive intermediate and building block in organic synthesis, enabling the preparation of functionalized dienyne derivatives and serving as a precursor for conjugated polymers and advanced materials; it can act as a monomer or crosslinking component in coatings and inks; it is evaluated as a precursor for pharmaceutical and fine-chemical synthesis in research and development; and it is of interest for organic-electronics-related material research as a dienyne-containing building block.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3426.07
    methanol 2342.91
    isopropanol 2463.8
    water 0.02
    ethyl acetate 7333.7
    n-propanol 2837.17
    acetone 7072.89
    n-butanol 3165.52
    acetonitrile 2871.12
    DMF 3173.48
    toluene 2896.4
    isobutanol 1900.41
    1,4-dioxane 5998.36
    methyl acetate 3721.46
    THF 10008.67
    2-butanone 5555.65
    n-pentanol 2028.06
    sec-butanol 2473.36
    n-hexane 3172.75
    ethylene glycol 220.92
    NMP 1983.6
    cyclohexane 4084.36
    DMSO 5529.74
    n-butyl acetate 7673.25
    n-octanol 867.1
    chloroform 6423.52
    n-propyl acetate 3617.73
    acetic acid 1460.25
    dichloromethane 7707.93
    cyclohexanone 6031.82
    propylene glycol 482.51
    isopropyl acetate 3350.18
    DMAc 1991.9
    2-ethoxyethanol 1881.74
    isopentanol 2374.86
    n-heptane 2380.11
    ethyl formate 1732.54
    1,2-dichloroethane 6459.98
    n-hexanol 3621.72
    2-methoxyethanol 3190.42
    isobutyl acetate 1709.6
    tetrachloromethane 1228.85
    n-pentyl acetate 1883.15
    transcutol 7079.12
    n-heptanol 858.41
    ethylbenzene 1133.83
    MIBK 2587.42
    2-propoxyethanol 3469.99
    tert-butanol 2795.28
    MTBE 4508.33
    2-butoxyethanol 1123.22
    propionic acid 1436.27
    o-xylene 940.63
    formic acid 184.06
    diethyl ether 9974.7
    m-xylene 1403.64
    p-xylene 1137.01
    chlorobenzene 2251.15
    dimethyl carbonate 853.94
    n-octane 504.34
    formamide 385.21
    cyclopentanone 5434.94
    2-pentanone 6191.72
    anisole 1648.5
    cyclopentyl methyl ether 5807.26
    gamma-butyrolactone 3680.39
    1-methoxy-2-propanol 2595.44
    pyridine 5055.26
    3-pentanone 4163.55
    furfural 2175.15
    n-dodecane 193.89
    diethylene glycol 1241.03
    diisopropyl ether 2508.66
    tert-amyl alcohol 2145.3
    acetylacetone 3881.31
    n-hexadecane 233.77
    acetophenone 1248.2
    methyl propionate 3807.97
    isopentyl acetate 4279.92
    trichloroethylene 7825.52
    n-nonanol 746.66
    cyclohexanol 2868.87
    benzyl alcohol 921.18
    2-ethylhexanol 2489.42
    isooctanol 668.14
    dipropyl ether 7024.3
    1,2-dichlorobenzene 1502.64
    ethyl lactate 598.45
    propylene carbonate 1928.59
    n-methylformamide 1221.66
    2-pentanol 2650.88
    n-pentane 2412.43
    1-propoxy-2-propanol 3352.57
    1-methoxy-2-propyl acetate 3328.6
    2-(2-methoxypropoxy) propanol 941.29
    mesitylene 835.5
    ε-caprolactone 3681.74
    p-cymene 790.86
    epichlorohydrin 5410.38
    1,1,1-trichloroethane 4584.93
    2-aminoethanol 607.09
    morpholine-4-carbaldehyde 2312.82
    sulfolane 3757.23
    2,2,4-trimethylpentane 448.32
    2-methyltetrahydrofuran 8052.94
    n-hexyl acetate 2247.2
    isooctane 453.51
    2-(2-butoxyethoxy)ethanol 1468.42
    sec-butyl acetate 1955.64
    tert-butyl acetate 2873.63
    decalin 769.12
    glycerin 455.67
    diglyme 3265.34
    acrylic acid 834.02
    isopropyl myristate 748.74
    n-butyric acid 3312.11
    acetyl acetate 2355.3
    di(2-ethylhexyl) phthalate 405.05
    ethyl propionate 2784.68
    nitromethane 2793.52
    1,2-diethoxyethane 6084.86
    benzonitrile 1419.94
    trioctyl phosphate 360.56
    1-bromopropane 6816.31
    gamma-valerolactone 4217.05
    n-decanol 543.71
    triethyl phosphate 769.55
    4-methyl-2-pentanol 1099.85
    propionitrile 2610.01
    vinylene carbonate 1394.06
    1,1,2-trichlorotrifluoroethane 2302.0
    DMS 1374.98
    cumene 588.34
    2-octanol 599.09
    2-hexanone 3773.09
    octyl acetate 858.87
    limonene 1722.59
    1,2-dimethoxyethane 4514.34
    ethyl orthosilicate 866.32
    tributyl phosphate 563.66
    diacetone alcohol 1980.05
    N,N-dimethylaniline 884.7
    acrylonitrile 2130.93
    aniline 1749.15
    1,3-propanediol 1165.64
    bromobenzene 2933.0
    dibromomethane 6489.51
    1,1,2,2-tetrachloroethane 5801.34
    2-methyl-cyclohexyl acetate 1486.73
    tetrabutyl urea 721.67
    diisobutyl methanol 1257.79
    2-phenylethanol 1320.82
    styrene 1624.94
    dioctyl adipate 863.64
    dimethyl sulfate 1036.23
    ethyl butyrate 4076.58
    methyl lactate 699.69
    butyl lactate 857.33
    diethyl carbonate 1776.48
    propanediol butyl ether 779.22
    triethyl orthoformate 1966.68
    p-tert-butyltoluene 757.86
    methyl 4-tert-butylbenzoate 675.92
    morpholine 7214.81
    tert-butylamine 2273.98
    n-dodecanol 429.71
    dimethoxymethane 3879.21
    ethylene carbonate 1443.99
    cyrene 576.03
    2-ethoxyethyl acetate 2219.79
    2-ethylhexyl acetate 3509.16
    1,2,4-trichlorobenzene 1540.13
    4-methylpyridine 4062.67
    dibutyl ether 3602.08
    2,6-dimethyl-4-heptanol 1257.79
    DEF 4291.96
    dimethyl isosorbide 1709.56
    tetrachloroethylene 3900.26
    eugenol 642.82
    triacetin 1335.92
    span 80 968.9
    1,4-butanediol 364.92
    1,1-dichloroethane 5623.81
    2-methyl-1-pentanol 1642.72
    methyl formate 930.34
    2-methyl-1-butanol 2089.63
    n-decane 435.99
    butyronitrile 3766.26
    3,7-dimethyl-1-octanol 1035.02
    1-chlorooctane 1136.64
    1-chlorotetradecane 370.07
    n-nonane 546.36
    undecane 274.49
    tert-butylcyclohexane 640.7
    cyclooctane 1276.36
    cyclopentanol 2122.87
    tetrahydropyran 11073.29
    tert-amyl methyl ether 2882.9
    2,5,8-trioxanonane 1708.25
    1-hexene 6279.78
    2-isopropoxyethanol 1289.47
    2,2,2-trifluoroethanol 239.5
    methyl butyrate 3459.75

    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