1-Undecyn-4-ol

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  • Identifiers

    CAS number
    22127-86-2

    Molecular formula
    C11H20O

    SMILES
    CCCCCCCC(CC#C)O

  • Odor profile

    Fragrance
    Floral 50.88%
    Waxy 49.55%
    Oily 48.75%
    Fatty 47.47%
    Citrus 44.04%
    Fruity 42.18%
    Green 42.06%
    Fresh 40.08%
    Earthy 38.92%
    Mushroom 36.91%

     

    Flavor
    Mild 28.53%
    Odorless 22.56%
    Herbal 21.45%
    Bland 21.33%
    Sulfurous 21.18%
    Leathery 20.72%
    Skunky 20.64%
    Bitter 20.62%
    Yeasty 20.53%
    Glue 20.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.8 (neutral)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    233°C

    Flash point

    • 94.19 ˚C est.

  • Synonyms

    • 1-Undecyn-4-ol
    • 22127-86-2
    • DTXSID80334193
    • undec-1-yn-4-ol
    • SCHEMBL11071067
    • DTXCID90285283
    • AKOS013216691

  • Applications

    1-Undecyn-4-ol (CAS 22127-86-2) is a long-chain terminal alkyne alcohol that functions primarily as a synthetic intermediate in organic chemistry. It is commonly evaluated as a building block for fragrance and flavor precursors, and it can be converted into functionalized derivatives such as ethers and esters or serve as a handle for incorporating alkynyl groups into polymers and coatings. Its hydroxyl group enables downstream derivatization for coupling reactions, including click-chemistry approaches, supporting applications in specialty chemicals, adhesives, and surface-modification formulations. It is also encountered as a research intermediate in pharmaceutical and agrochemical development, with downstream uses in cosmetics/personal care fragrance formulations where permitted by regulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13883.65
    methanol 15511.82
    isopropanol 10243.24
    water 0.51
    ethyl acetate 4328.08
    n-propanol 8784.27
    acetone 11689.27
    n-butanol 8012.31
    acetonitrile 4164.43
    DMF 4594.38
    toluene 625.32
    isobutanol 5279.51
    1,4-dioxane 5186.6
    methyl acetate 2813.49
    THF 9097.37
    2-butanone 4785.63
    n-pentanol 4174.7
    sec-butanol 5250.71
    n-hexane 1254.77
    ethylene glycol 1481.99
    NMP 1830.1
    cyclohexane 1341.77
    DMSO 9005.44
    n-butyl acetate 3338.71
    n-octanol 943.21
    chloroform 3995.35
    n-propyl acetate 2767.92
    acetic acid 4776.63
    dichloromethane 3797.89
    cyclohexanone 5314.32
    propylene glycol 2180.79
    isopropyl acetate 2154.75
    DMAc 1667.42
    2-ethoxyethanol 3442.13
    isopentanol 4459.01
    n-heptane 719.42
    ethyl formate 2300.34
    1,2-dichloroethane 3152.94
    n-hexanol 4354.81
    2-methoxyethanol 6912.42
    isobutyl acetate 1320.29
    tetrachloromethane 787.34
    n-pentyl acetate 1350.13
    transcutol 6749.49
    n-heptanol 1100.47
    ethylbenzene 331.99
    MIBK 1895.29
    2-propoxyethanol 4111.89
    tert-butanol 6516.43
    MTBE 3680.59
    2-butoxyethanol 1670.67
    propionic acid 3466.93
    o-xylene 304.77
    formic acid 1339.4
    diethyl ether 6385.26
    m-xylene 386.62
    p-xylene 405.29
    chlorobenzene 842.55
    dimethyl carbonate 474.45
    n-octane 174.21
    formamide 1882.62
    cyclopentanone 5200.17
    2-pentanone 5232.24
    anisole 715.63
    cyclopentyl methyl ether 3708.96
    gamma-butyrolactone 4010.54
    1-methoxy-2-propanol 4851.4
    pyridine 2601.1
    3-pentanone 2301.17
    furfural 2201.22
    n-dodecane 69.38
    diethylene glycol 2455.19
    diisopropyl ether 1157.24
    tert-amyl alcohol 3396.92
    acetylacetone 2821.59
    n-hexadecane 80.32
    acetophenone 632.64
    methyl propionate 2312.61
    isopentyl acetate 2091.71
    trichloroethylene 3945.64
    n-nonanol 693.66
    cyclohexanol 3972.68
    benzyl alcohol 713.43
    2-ethylhexanol 1736.62
    isooctanol 774.22
    dipropyl ether 3122.26
    1,2-dichlorobenzene 665.54
    ethyl lactate 667.22
    propylene carbonate 1783.03
    n-methylformamide 3415.18
    2-pentanol 4568.83
    n-pentane 993.48
    1-propoxy-2-propanol 3215.27
    1-methoxy-2-propyl acetate 1709.71
    2-(2-methoxypropoxy) propanol 806.57
    mesitylene 256.97
    ε-caprolactone 3080.43
    p-cymene 260.53
    epichlorohydrin 4072.47
    1,1,1-trichloroethane 2125.78
    2-aminoethanol 3280.64
    morpholine-4-carbaldehyde 2282.03
    sulfolane 3663.18
    2,2,4-trimethylpentane 178.11
    2-methyltetrahydrofuran 5723.45
    n-hexyl acetate 1585.34
    isooctane 180.32
    2-(2-butoxyethoxy)ethanol 1493.85
    sec-butyl acetate 1259.23
    tert-butyl acetate 1794.98
    decalin 238.13
    glycerin 1840.48
    diglyme 3059.74
    acrylic acid 1944.69
    isopropyl myristate 431.56
    n-butyric acid 6195.46
    acetyl acetate 1404.9
    di(2-ethylhexyl) phthalate 303.97
    ethyl propionate 1523.7
    nitromethane 5750.33
    1,2-diethoxyethane 2791.49
    benzonitrile 985.64
    trioctyl phosphate 307.64
    1-bromopropane 2700.12
    gamma-valerolactone 4991.83
    n-decanol 463.32
    triethyl phosphate 400.08
    4-methyl-2-pentanol 1446.71
    propionitrile 3334.15
    vinylene carbonate 1341.25
    1,1,2-trichlorotrifluoroethane 2413.34
    DMS 686.13
    cumene 218.34
    2-octanol 722.38
    2-hexanone 3045.11
    octyl acetate 536.49
    limonene 635.67
    1,2-dimethoxyethane 4834.66
    ethyl orthosilicate 450.57
    tributyl phosphate 408.87
    diacetone alcohol 1890.98
    N,N-dimethylaniline 377.78
    acrylonitrile 2594.62
    aniline 1026.62
    1,3-propanediol 4641.36
    bromobenzene 810.0
    dibromomethane 3091.85
    1,1,2,2-tetrachloroethane 3147.52
    2-methyl-cyclohexyl acetate 801.48
    tetrabutyl urea 471.81
    diisobutyl methanol 773.69
    2-phenylethanol 811.46
    styrene 460.7
    dioctyl adipate 550.67
    dimethyl sulfate 663.3
    ethyl butyrate 1694.31
    methyl lactate 851.17
    butyl lactate 945.09
    diethyl carbonate 759.52
    propanediol butyl ether 1507.4
    triethyl orthoformate 960.78
    p-tert-butyltoluene 259.44
    methyl 4-tert-butylbenzoate 515.33
    morpholine 7184.12
    tert-butylamine 4028.46
    n-dodecanol 336.26
    dimethoxymethane 2992.39
    ethylene carbonate 1475.37
    cyrene 584.06
    2-ethoxyethyl acetate 1466.16
    2-ethylhexyl acetate 1499.93
    1,2,4-trichlorobenzene 658.49
    4-methylpyridine 2062.31
    dibutyl ether 1743.21
    2,6-dimethyl-4-heptanol 773.69
    DEF 2889.39
    dimethyl isosorbide 1110.52
    tetrachloroethylene 2381.62
    eugenol 538.1
    triacetin 911.98
    span 80 896.53
    1,4-butanediol 1533.22
    1,1-dichloroethane 3426.83
    2-methyl-1-pentanol 2095.77
    methyl formate 1882.65
    2-methyl-1-butanol 3618.3
    n-decane 168.11
    butyronitrile 4806.06
    3,7-dimethyl-1-octanol 824.28
    1-chlorooctane 579.37
    1-chlorotetradecane 161.28
    n-nonane 209.1
    undecane 100.4
    tert-butylcyclohexane 218.68
    cyclooctane 306.55
    cyclopentanol 4150.31
    tetrahydropyran 8358.42
    tert-amyl methyl ether 1855.31
    2,5,8-trioxanonane 1467.86
    1-hexene 2967.68
    2-isopropoxyethanol 1987.28
    2,2,2-trifluoroethanol 876.75
    methyl butyrate 2488.08

    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