Undec-3-enoic acid

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  • Identifiers

    CAS number
    4189-01-9

    Molecular formula
    C11H20O2

    SMILES
    CCCCCCCC=CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 89.21%
    Green 82.0%
    Waxy 72.77%
    Fruity 67.72%
    Dairy 59.86%
    Oily 53.23%
    Melon 42.55%
    Milky 40.65%
    Creamy 33.12%
    Buttery 32.58%

     

    Flavor
    Fatty 65.41%
    Waxy 50.16%
    Oily 37.59%
    Fat 33.13%
    Fruity 30.92%
    Creamy 28.45%
    Green 27.28%
    Sweet 26.97%
    Soapy 24.39%
    Woody 23.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.87 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 146.71 ˚C est.

  • Synonyms

    • undec-3-enoic acid
    • DTXSID10701995
    • 4189-01-9
    • RefChem:386841
    • DTXCID80652743
    • 3-Undecenoic acid
    • SCHEMBL1302089
    • 4189-01-9

  • Applications

    Undec-3-enoic acid (CAS 4189-01-9) is a long-chain unsaturated carboxylic acid that serves as a versatile building block in industrial synthesis. In polymers and coatings, it is used as a monomer or precursor for alkyd resins and other specialty polymers, enabling drying, crosslinking, and formulation flexibility. It is also esterified to form surfactants and plasticizers for detergents, cleaners, and related products, and can be reacted to generate lubricant additives for industrial fluids. As an intermediate in fragrance and flavor chemistry, undec-3-enoic acid derivatives can be used to prepare aroma-related esters and functionalized building blocks for personal care formulations. In adhesives and coatings, functionalized derivatives derived from this acid can contribute to resin properties and performance. Overall, it is typically employed as an intermediate or monomer rather than a final active ingredient, with usage governed by formulation needs and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2099.94
    methanol 2214.61
    isopropanol 1656.01
    water 0.05
    ethyl acetate 709.28
    n-propanol 1467.4
    acetone 1811.4
    n-butanol 1193.01
    acetonitrile 374.14
    DMF 1528.93
    toluene 182.03
    isobutanol 953.03
    1,4-dioxane 872.78
    methyl acetate 423.17
    THF 2500.31
    2-butanone 990.06
    n-pentanol 977.6
    sec-butanol 1048.81
    n-hexane 293.7
    ethylene glycol 185.41
    NMP 819.09
    cyclohexane 111.69
    DMSO 2834.46
    n-butyl acetate 657.58
    n-octanol 245.99
    chloroform 500.08
    n-propyl acetate 577.21
    acetic acid 491.19
    dichloromethane 506.92
    cyclohexanone 1069.16
    propylene glycol 481.22
    isopropyl acetate 560.63
    DMAc 798.74
    2-ethoxyethanol 955.43
    isopentanol 1004.23
    n-heptane 63.6
    ethyl formate 264.91
    1,2-dichloroethane 561.93
    n-hexanol 888.67
    2-methoxyethanol 1525.81
    isobutyl acetate 390.05
    tetrachloromethane 90.46
    n-pentyl acetate 314.96
    transcutol 2495.02
    n-heptanol 283.57
    ethylbenzene 137.57
    MIBK 665.12
    2-propoxyethanol 1085.72
    tert-butanol 1769.04
    MTBE 1190.67
    2-butoxyethanol 504.58
    propionic acid 467.52
    o-xylene 130.38
    formic acid 130.03
    diethyl ether 1034.08
    m-xylene 188.76
    p-xylene 152.07
    chlorobenzene 181.29
    dimethyl carbonate 122.13
    n-octane 22.46
    formamide 216.51
    cyclopentanone 1349.17
    2-pentanone 1121.31
    anisole 291.59
    cyclopentyl methyl ether 1171.9
    gamma-butyrolactone 951.38
    1-methoxy-2-propanol 1454.94
    pyridine 490.15
    3-pentanone 499.75
    furfural 495.76
    n-dodecane 13.99
    diethylene glycol 633.19
    diisopropyl ether 330.89
    tert-amyl alcohol 1094.69
    acetylacetone 772.02
    n-hexadecane 16.23
    acetophenone 254.55
    methyl propionate 512.34
    isopentyl acetate 611.45
    trichloroethylene 679.74
    n-nonanol 208.73
    cyclohexanol 763.45
    benzyl alcohol 282.64
    2-ethylhexanol 429.31
    isooctanol 237.83
    dipropyl ether 519.18
    1,2-dichlorobenzene 167.4
    ethyl lactate 215.83
    propylene carbonate 394.4
    n-methylformamide 571.5
    2-pentanol 887.45
    n-pentane 116.41
    1-propoxy-2-propanol 859.25
    1-methoxy-2-propyl acetate 598.72
    2-(2-methoxypropoxy) propanol 407.84
    mesitylene 136.07
    ε-caprolactone 695.42
    p-cymene 86.47
    epichlorohydrin 1086.64
    1,1,1-trichloroethane 395.11
    2-aminoethanol 680.42
    morpholine-4-carbaldehyde 725.82
    sulfolane 1266.87
    2,2,4-trimethylpentane 57.1
    2-methyltetrahydrofuran 1627.89
    n-hexyl acetate 450.39
    isooctane 60.06
    2-(2-butoxyethoxy)ethanol 677.8
    sec-butyl acetate 403.72
    tert-butyl acetate 700.63
    decalin 74.07
    glycerin 421.28
    diglyme 961.64
    acrylic acid 252.72
    isopropyl myristate 153.32
    n-butyric acid 856.64
    acetyl acetate 233.38
    di(2-ethylhexyl) phthalate 137.08
    ethyl propionate 417.42
    nitromethane 591.1
    1,2-diethoxyethane 766.79
    benzonitrile 246.35
    trioctyl phosphate 113.34
    1-bromopropane 471.03
    gamma-valerolactone 1130.59
    n-decanol 149.41
    triethyl phosphate 130.43
    4-methyl-2-pentanol 457.99
    propionitrile 402.71
    vinylene carbonate 249.99
    1,1,2-trichlorotrifluoroethane 630.61
    DMS 206.27
    cumene 107.45
    2-octanol 187.01
    2-hexanone 786.51
    octyl acetate 188.22
    limonene 175.45
    1,2-dimethoxyethane 1263.89
    ethyl orthosilicate 145.03
    tributyl phosphate 139.67
    diacetone alcohol 865.92
    N,N-dimethylaniline 216.78
    acrylonitrile 350.48
    aniline 312.22
    1,3-propanediol 822.9
    bromobenzene 181.85
    dibromomethane 410.97
    1,1,2,2-tetrachloroethane 676.71
    2-methyl-cyclohexyl acetate 285.26
    tetrabutyl urea 185.51
    diisobutyl methanol 225.03
    2-phenylethanol 317.93
    styrene 165.81
    dioctyl adipate 219.78
    dimethyl sulfate 224.16
    ethyl butyrate 372.41
    methyl lactate 271.75
    butyl lactate 277.49
    diethyl carbonate 175.16
    propanediol butyl ether 522.94
    triethyl orthoformate 245.26
    p-tert-butyltoluene 94.03
    methyl 4-tert-butylbenzoate 238.35
    morpholine 1544.65
    tert-butylamine 1052.88
    n-dodecanol 107.16
    dimethoxymethane 966.72
    ethylene carbonate 237.72
    cyrene 307.64
    2-ethoxyethyl acetate 382.21
    2-ethylhexyl acetate 431.78
    1,2,4-trichlorobenzene 194.19
    4-methylpyridine 526.23
    dibutyl ether 371.05
    2,6-dimethyl-4-heptanol 225.03
    DEF 826.3
    dimethyl isosorbide 596.39
    tetrachloroethylene 425.86
    eugenol 252.12
    triacetin 300.41
    span 80 381.1
    1,4-butanediol 359.24
    1,1-dichloroethane 532.13
    2-methyl-1-pentanol 707.37
    methyl formate 243.42
    2-methyl-1-butanol 837.93
    n-decane 28.03
    butyronitrile 602.47
    3,7-dimethyl-1-octanol 284.96
    1-chlorooctane 138.03
    1-chlorotetradecane 44.14
    n-nonane 29.79
    undecane 19.07
    tert-butylcyclohexane 84.91
    cyclooctane 39.87
    cyclopentanol 889.27
    tetrahydropyran 1464.65
    tert-amyl methyl ether 707.45
    2,5,8-trioxanonane 626.49
    1-hexene 817.75
    2-isopropoxyethanol 717.84
    2,2,2-trifluoroethanol 85.8
    methyl butyrate 584.9

    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