10-Undecynoic acid

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  • Identifiers

    CAS number
    2777-65-3

    Molecular formula
    C11H18O2

    SMILES
    C#CCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 60.15%
    Waxy 58.61%
    Citrus 51.12%
    Floral 40.59%
    Fresh 40.44%
    Sweet 34.88%
    Aldehydic 34.59%
    Green 31.14%
    Milky 30.99%
    Oily 28.72%

     

    Flavor
    Fatty 41.01%
    Odorless 34.37%
    Mild 33.02%
    Waxy 32.93%
    Oily 23.09%
    Bland 23.06%
    Faint 22.91%
    Bay oil 22.71%
    Slightly waxy 22.63%
    Cultured dairy 22.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.15 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 135.56 ˚C est.

  • Synonyms

    • 10-Undecynoic acid
    • 2777-65-3
    • 2F79G7H1WY
    • DTXSID2075219
    • RefChem:77654
    • DTXCID5037731
    • 220-471-8
    • Undec-10-ynoic acid
    • Hendecynoic acid
    • MFCD00014389
    • Undec-10-ynoicacid
    • EINECS 220-471-8
    • BRN 1704918
    • UNII-2F79G7H1WY
    • 10-Hendecynoic Acid;
    • Undec-1-yn-11-oic acid
    • 10-ENYL UNDECENOIC
    • 10-HENDECYNOIC ACID
    • SCHEMBL40510
    • 10-Undecynoic acid, 95%
    • 4-02-00-01738 (Beilstein Handbook Reference)
    • LCZC1163
    • CHEBI:185054
    • GEO-02443
    • LMFA01030618
    • SBB008483
    • STL554898
    • AKOS001592014
    • AT18751
    • AS-57177
    • SY048514
    • DB-047276
    • CS-0160163
    • NS00028365
    • ST50825188
    • U0054
    • F013742
    • Q18611669
    • 2777-65-3

  • Applications

    10-Undecynoic acid (CAS 2777-65-3) is mainly used as a chemical intermediate and building block in organic synthesis; its alkyne-functional fatty acid structure enables CuAAC click-chemistry, allowing the preparation of alkyne-terminated polymers, coatings, and surface-modifying agents. It serves as a precursor or comonomer for specialty polymers and coatings, providing sites for crosslinking and post-polymerization functionalization. It is used as a starting material for surfactants and emulsifiers and may be blended into lubricant or plasticizer formulations in industrial products. In research and development, it is valued as a versatile building block for bio-based materials and lipid-derived materials through functionalization at the alkyne group.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1109.2
    methanol 1822.19
    isopropanol 556.08
    water 0.95
    ethyl acetate 255.99
    n-propanol 589.27
    acetone 761.21
    n-butanol 479.66
    acetonitrile 188.62
    DMF 1041.85
    toluene 39.65
    isobutanol 360.68
    1,4-dioxane 410.43
    methyl acetate 185.47
    THF 987.58
    2-butanone 325.2
    n-pentanol 388.78
    sec-butanol 317.02
    n-hexane 42.13
    ethylene glycol 369.43
    NMP 530.31
    cyclohexane 24.38
    DMSO 2303.2
    n-butyl acetate 248.21
    n-octanol 106.4
    chloroform 227.23
    n-propyl acetate 250.9
    acetic acid 569.24
    dichloromethane 223.59
    cyclohexanone 515.6
    propylene glycol 407.92
    isopropyl acetate 183.59
    DMAc 503.21
    2-ethoxyethanol 581.69
    isopentanol 365.8
    n-heptane 15.03
    ethyl formate 190.36
    1,2-dichloroethane 241.75
    n-hexanol 298.38
    2-methoxyethanol 1028.35
    isobutyl acetate 160.33
    tetrachloromethane 38.35
    n-pentyl acetate 150.43
    transcutol 1440.47
    n-heptanol 112.5
    ethylbenzene 39.31
    MIBK 238.43
    2-propoxyethanol 519.69
    tert-butanol 532.45
    MTBE 217.56
    2-butoxyethanol 264.87
    propionic acid 368.25
    o-xylene 39.71
    formic acid 428.35
    diethyl ether 260.43
    m-xylene 46.96
    p-xylene 46.72
    chlorobenzene 71.44
    dimethyl carbonate 85.25
    n-octane 5.89
    formamide 560.85
    cyclopentanone 699.85
    2-pentanone 400.07
    anisole 122.59
    cyclopentyl methyl ether 350.55
    gamma-butyrolactone 620.9
    1-methoxy-2-propanol 731.6
    pyridine 212.99
    3-pentanone 193.21
    furfural 446.72
    n-dodecane 4.69
    diethylene glycol 471.91
    diisopropyl ether 69.05
    tert-amyl alcohol 317.96
    acetylacetone 394.74
    n-hexadecane 5.28
    acetophenone 135.42
    methyl propionate 206.86
    isopentyl acetate 202.67
    trichloroethylene 347.91
    n-nonanol 86.48
    cyclohexanol 285.81
    benzyl alcohol 141.53
    2-ethylhexanol 132.2
    isooctanol 89.67
    dipropyl ether 146.77
    1,2-dichlorobenzene 84.01
    ethyl lactate 137.28
    propylene carbonate 273.36
    n-methylformamide 563.55
    2-pentanol 267.15
    n-pentane 19.84
    1-propoxy-2-propanol 355.34
    1-methoxy-2-propyl acetate 228.91
    2-(2-methoxypropoxy) propanol 228.98
    mesitylene 37.55
    ε-caprolactone 361.14
    p-cymene 30.45
    epichlorohydrin 538.43
    1,1,1-trichloroethane 127.01
    2-aminoethanol 663.18
    morpholine-4-carbaldehyde 515.7
    sulfolane 873.92
    2,2,4-trimethylpentane 10.72
    2-methyltetrahydrofuran 473.43
    n-hexyl acetate 202.74
    isooctane 10.69
    2-(2-butoxyethoxy)ethanol 364.97
    sec-butyl acetate 144.13
    tert-butyl acetate 241.28
    decalin 15.1
    glycerin 535.52
    diglyme 642.36
    acrylic acid 298.2
    isopropyl myristate 64.66
    n-butyric acid 485.47
    acetyl acetate 134.79
    di(2-ethylhexyl) phthalate 73.8
    ethyl propionate 174.45
    nitromethane 706.53
    1,2-diethoxyethane 279.02
    benzonitrile 126.42
    trioctyl phosphate 58.79
    1-bromopropane 113.9
    gamma-valerolactone 734.21
    n-decanol 60.41
    triethyl phosphate 66.72
    4-methyl-2-pentanol 144.42
    propionitrile 182.63
    vinylene carbonate 214.99
    1,1,2-trichlorotrifluoroethane 444.45
    DMS 125.71
    cumene 35.52
    2-octanol 74.22
    2-hexanone 299.11
    octyl acetate 85.44
    limonene 49.94
    1,2-dimethoxyethane 654.7
    ethyl orthosilicate 67.58
    tributyl phosphate 75.0
    diacetone alcohol 369.13
    N,N-dimethylaniline 90.16
    acrylonitrile 219.57
    aniline 109.97
    1,3-propanediol 660.06
    bromobenzene 62.38
    dibromomethane 159.71
    1,1,2,2-tetrachloroethane 330.4
    2-methyl-cyclohexyl acetate 124.35
    tetrabutyl urea 99.66
    diisobutyl methanol 72.8
    2-phenylethanol 131.51
    styrene 46.3
    dioctyl adipate 110.82
    dimethyl sulfate 183.84
    ethyl butyrate 155.72
    methyl lactate 195.72
    butyl lactate 165.38
    diethyl carbonate 90.26
    propanediol butyl ether 330.55
    triethyl orthoformate 109.39
    p-tert-butyltoluene 31.23
    methyl 4-tert-butylbenzoate 135.23
    morpholine 664.87
    tert-butylamine 253.41
    n-dodecanol 44.25
    dimethoxymethane 470.44
    ethylene carbonate 192.56
    cyrene 198.64
    2-ethoxyethyl acetate 218.82
    2-ethylhexyl acetate 145.76
    1,2,4-trichlorobenzene 99.09
    4-methylpyridine 186.92
    dibutyl ether 112.19
    2,6-dimethyl-4-heptanol 72.8
    DEF 341.91
    dimethyl isosorbide 301.63
    tetrachloroethylene 231.39
    eugenol 157.61
    triacetin 200.54
    span 80 204.1
    1,4-butanediol 288.57
    1,1-dichloroethane 158.82
    2-methyl-1-pentanol 262.63
    methyl formate 278.76
    2-methyl-1-butanol 294.6
    n-decane 8.18
    butyronitrile 228.64
    3,7-dimethyl-1-octanol 98.57
    1-chlorooctane 43.14
    1-chlorotetradecane 15.76
    n-nonane 8.17
    undecane 5.9
    tert-butylcyclohexane 16.37
    cyclooctane 8.61
    cyclopentanol 384.56
    tetrahydropyran 455.78
    tert-amyl methyl ether 158.61
    2,5,8-trioxanonane 382.41
    1-hexene 137.78
    2-isopropoxyethanol 363.16
    2,2,2-trifluoroethanol 157.33
    methyl butyrate 268.33

    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