5-Undecen-3-yne

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    74744-31-3

    Molecular formula
    C11H18

    SMILES
    CCCCC/C=C/C#CCC

    Retention indicies (RI)

    • Carbowax: 1388.0

  • Odor profile

    Fragrance
    Green 78.38%
    Fruity 52.07%
    Floral 43.31%
    Citrus 37.77%
    Fresh 34.93%
    Fatty 34.5%
    Leafy 34.02%
    Tropical 33.68%
    Cucumber 33.62%
    Waxy 31.22%

     

    Flavor
    Oriental 20.51%
    Low 19.27%
    Diterpene 19.23%
    Nitrile 19.07%
    Terpentine 18.73%
    Delicate 18.7%
    Bloody 18.22%
    Skunky 18.19%
    Opoponax 18.15%
    Glue 17.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.78 (neutral)

    Molecular weight
    150.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    204°C

    Flash point

    • 72.52 ˚C est.

  • Synonyms

    • (E)-5-Undecen-3-yne
    • 74744-31-3
    • 5-UNDECEN-3-YNE
    • 5-Undecen-3-yne, (E)-
    • trans-5 -undecen-3-yne
    • (5E)-5-Undecen-3-yne
    • HKGRHUQPBWLCLA-ZHACJKMWSA-N

  • Applications

    5-Undecen-3-yne (CAS 74744-31-3) is a hydrocarbon with an internal alkyne and alkene, typically used as an intermediate and building block for functional plastics and specialty resins; in polymer chemistry it enables the introduction of an alkyne handle for post-polymerization crosslinking via click reactions. In coatings and inks, it can be incorporated to introduce alkyne functionality that enables crosslinking after formulation; in adhesives, it provides a crosslinking site that can improve bonding performance and mechanical properties; in industrial manufacturing, it is used as a precursor to specialized intermediates; in electronics and advanced materials, it is explored as a monomer for functional polymers and materials leveraging click chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10685.0
    methanol 7624.09
    isopropanol 8779.62
    water 0.04
    ethyl acetate 17501.72
    n-propanol 8878.09
    acetone 20405.6
    n-butanol 10581.39
    acetonitrile 10096.51
    DMF 8919.04
    toluene 7103.45
    isobutanol 6442.72
    1,4-dioxane 16233.94
    methyl acetate 9331.29
    THF 23915.89
    2-butanone 13955.19
    n-pentanol 6754.69
    sec-butanol 7937.72
    n-hexane 11523.22
    ethylene glycol 620.46
    NMP 4847.93
    cyclohexane 14311.52
    DMSO 12604.5
    n-butyl acetate 20457.03
    n-octanol 2900.94
    chloroform 16955.33
    n-propyl acetate 9529.06
    acetic acid 4168.95
    dichloromethane 19925.8
    cyclohexanone 15705.34
    propylene glycol 1168.28
    isopropyl acetate 8713.64
    DMAc 4470.55
    2-ethoxyethanol 5224.79
    isopentanol 8131.82
    n-heptane 8368.26
    ethyl formate 5127.11
    1,2-dichloroethane 16220.5
    n-hexanol 11520.74
    2-methoxyethanol 8544.21
    isobutyl acetate 4345.05
    tetrachloromethane 4407.89
    n-pentyl acetate 5522.42
    transcutol 15643.68
    n-heptanol 2825.49
    ethylbenzene 2949.45
    MIBK 6570.35
    2-propoxyethanol 9317.37
    tert-butanol 9690.52
    MTBE 14572.86
    2-butoxyethanol 3304.15
    propionic acid 4108.24
    o-xylene 2323.27
    formic acid 483.33
    diethyl ether 29116.57
    m-xylene 3422.16
    p-xylene 3087.06
    chlorobenzene 5504.26
    dimethyl carbonate 1979.64
    n-octane 1777.97
    formamide 1006.63
    cyclopentanone 12434.1
    2-pentanone 16432.82
    anisole 3836.24
    cyclopentyl methyl ether 14990.57
    gamma-butyrolactone 8566.3
    1-methoxy-2-propanol 6621.82
    pyridine 12309.51
    3-pentanone 10156.78
    furfural 4960.8
    n-dodecane 619.35
    diethylene glycol 3023.92
    diisopropyl ether 6946.59
    tert-amyl alcohol 7059.81
    acetylacetone 8780.31
    n-hexadecane 740.18
    acetophenone 2658.65
    methyl propionate 8807.06
    isopentyl acetate 10826.37
    trichloroethylene 18137.2
    n-nonanol 2344.34
    cyclohexanol 9362.58
    benzyl alcohol 2317.29
    2-ethylhexanol 7665.92
    isooctanol 2102.72
    dipropyl ether 20326.74
    1,2-dichlorobenzene 3646.98
    ethyl lactate 1379.84
    propylene carbonate 4619.77
    n-methylformamide 3445.52
    2-pentanol 8687.16
    n-pentane 8687.1
    1-propoxy-2-propanol 8905.2
    1-methoxy-2-propyl acetate 7007.04
    2-(2-methoxypropoxy) propanol 1951.21
    mesitylene 2087.27
    ε-caprolactone 10099.83
    p-cymene 2053.55
    epichlorohydrin 12283.32
    1,1,1-trichloroethane 13605.85
    2-aminoethanol 1727.89
    morpholine-4-carbaldehyde 5638.66
    sulfolane 8656.37
    2,2,4-trimethylpentane 1410.47
    2-methyltetrahydrofuran 21576.72
    n-hexyl acetate 6248.0
    isooctane 1466.19
    2-(2-butoxyethoxy)ethanol 3440.92
    sec-butyl acetate 4944.9
    tert-butyl acetate 7377.82
    decalin 2274.15
    glycerin 1073.25
    diglyme 7544.49
    acrylic acid 2244.11
    isopropyl myristate 1899.6
    n-butyric acid 9847.14
    acetyl acetate 5298.47
    di(2-ethylhexyl) phthalate 930.62
    ethyl propionate 6748.19
    nitromethane 7156.92
    1,2-diethoxyethane 15081.59
    benzonitrile 3786.12
    trioctyl phosphate 916.89
    1-bromopropane 19696.23
    gamma-valerolactone 10387.49
    n-decanol 1635.15
    triethyl phosphate 1665.63
    4-methyl-2-pentanol 3419.91
    propionitrile 8590.19
    vinylene carbonate 3634.08
    1,1,2-trichlorotrifluoroethane 5605.9
    DMS 2850.3
    cumene 1428.73
    2-octanol 2058.96
    2-hexanone 9739.29
    octyl acetate 2177.76
    limonene 4829.24
    1,2-dimethoxyethane 11679.89
    ethyl orthosilicate 2004.68
    tributyl phosphate 1345.3
    diacetone alcohol 4763.31
    N,N-dimethylaniline 2059.84
    acrylonitrile 6327.09
    aniline 4631.51
    1,3-propanediol 3403.16
    bromobenzene 6976.03
    dibromomethane 17510.25
    1,1,2,2-tetrachloroethane 13995.7
    2-methyl-cyclohexyl acetate 3537.72
    tetrabutyl urea 1762.92
    diisobutyl methanol 3597.95
    2-phenylethanol 3252.48
    styrene 4144.58
    dioctyl adipate 1976.37
    dimethyl sulfate 2157.64
    ethyl butyrate 10583.5
    methyl lactate 1547.59
    butyl lactate 2337.1
    diethyl carbonate 4084.13
    propanediol butyl ether 2175.6
    triethyl orthoformate 4994.79
    p-tert-butyltoluene 1947.94
    methyl 4-tert-butylbenzoate 1502.41
    morpholine 19478.08
    tert-butylamine 8649.64
    n-dodecanol 1237.4
    dimethoxymethane 9623.85
    ethylene carbonate 4011.92
    cyrene 1164.8
    2-ethoxyethyl acetate 5471.29
    2-ethylhexyl acetate 9297.07
    1,2,4-trichlorobenzene 3489.84
    4-methylpyridine 10952.4
    dibutyl ether 10985.34
    2,6-dimethyl-4-heptanol 3597.95
    DEF 10898.18
    dimethyl isosorbide 3288.67
    tetrachloroethylene 10030.6
    eugenol 1424.85
    triacetin 2916.41
    span 80 2265.51
    1,4-butanediol 1118.11
    1,1-dichloroethane 16527.56
    2-methyl-1-pentanol 5100.29
    methyl formate 2532.6
    2-methyl-1-butanol 6957.49
    n-decane 1406.04
    butyronitrile 13374.09
    3,7-dimethyl-1-octanol 2981.64
    1-chlorooctane 3444.25
    1-chlorotetradecane 1004.83
    n-nonane 1933.11
    undecane 871.22
    tert-butylcyclohexane 1912.52
    cyclooctane 4048.58
    cyclopentanol 6836.84
    tetrahydropyran 31824.78
    tert-amyl methyl ether 8475.9
    2,5,8-trioxanonane 3623.35
    1-hexene 19620.14
    2-isopropoxyethanol 3680.66
    2,2,2-trifluoroethanol 663.04
    methyl butyrate 9114.69

    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

Botanical

Name CAS Botanical Proportion
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.1%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.25%