cis-11-Eicosenoic acid

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  • Identifiers

    CAS number
    5561-99-9

    Molecular formula
    C20H38O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 79.46%
    Waxy 72.25%
    Oily 51.71%
    Dairy 25.96%
    Odorless 25.3%
    Creamy 25.2%
    Meaty 22.81%
    Savory 21.64%
    Milky 21.41%
    Sweet 21.17%

     

    Flavor
    Fatty 49.92%
    Waxy 42.43%
    Faint 34.93%
    Mild 29.37%
    Fat 28.25%
    Bland 25.87%
    Slightly waxy 24.71%
    Oily 22.8%
    Bay oil 22.68%
    Odorless 22.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.03 (neutral)

    Molecular weight
    310.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    382°C

    Flash point

    • 202.95 ˚C est.

  • Synonyms

    • cis-11-eicosenoic acid
    • gondoic acid
    • 5561-99-9
    • (Z)-icos-11-enoic acid
    • 11Z-eicosenoic acid
    • (Z)-eicos-11-enoic acid
    • cis-Delta11-eicosenoic acid
    • 20:1(n-9)
    • CHEBI:32425
    • Cis-icos-11-enoic
    • RefChem:37395
    • Fatty Acid 20:1 n-9
    • C20:1 n-9 cis
    • cis-gondoic acid
    • (11Z)-icos-11-enoic acid
    • cis-11-icosenoic acid
    • (11Z)-Icosenoic acid
    • (11Z)-Eicosenoic acid
    • 11-Icosenoic acid
    • (Z)-Icosa-11-enoic acid
    • 11-cis-eicosenoic acid
    • MFCD00010506
    • (11Z)-11-Eicosenoic acid
    • UDX6WPL94T
    • FA 20:1
    • CHEMBL4640620
    • C20:1n-9
    • (Z)-11-Eicosenoic Acid; cis-11-Eicosenoic acid
    • UNII-UDX6WPL94T
    • eicosenoate
    • godonic acid
    • Icosenoic acid
    • cis-Gondoate
    • 11-Eicosenoate
    • 11Z-Eicosenoate
    • 11-cis-eicosenoate
    • cis-11-Icosenoate
    • cis-11-Eicosenoate
    • 11-eiadecanoic acid
    • 11(Z)-eicosenoate
    • 11(Z)-eicosenoic acid
    • (Z)-icos-11-enoicacid
    • (Z)-11-Eicosenic acid
    • cis- 11-Eicosenoic acid
    • cis-11-Eicosenoic acid?
    • Z-Delta(11)-Eicosensaeure
    • SCHEMBL148672
    • cis-Delta(11)-eicosenoic acid
    • orb1303209
    • SCHEMBL6392542
    • SCHEMBL9703451
    • (11Z)-11-Eicosenoic Acid;
    • SCHEMBL28072175
    • (Z)-11-EICOSENOIC ACID
    • 11-Eicosenoic acid, (11Z)-
    • 11-EICOSENOIC ACID, CIS
    • DTXSID30970949
    • MSK1757
    • BDBM50541547
    • LMFA01030085
    • AKOS027320496
    • CIS-.DELTA.11-EICOSENOIC ACID
    • CS-W013958
    • DB14073
    • EBC-617159
    • HY-W013242
    • 20:1n9
    • AS-57724
    • BP-40898
    • SY116703
    • FA(20:1(11Z))
    • cis-11-Eicosenoic acid, analytical standard
    • NS00070376
    • E77605
    • cis-11-Eicosenoic acid, >=99% (capillary GC)
    • 561E999
    • F849277
    • Q416618
    • 5561-99-9

  • Applications

    cis-11-Eicosenoic acid (CAS 5561-99-9) is a long-chain monounsaturated fatty acid used primarily as an oleochemical feedstock. In cosmetics and personal care, it serves as a fatty-acid component in emollient esters and other lipid-based formulations. In oleochemical and surfactant manufacture, it is a building block for surfactants and emulsifiers derived from fatty acids. In industrial manufacturing, it is employed as a lubricant base oil or lubricant additive and as a starting material for specialty polymers and plasticizers, including alkyd resins. In coatings and inks, it provides fatty acid-derived resins and modifiers for film-forming binders. In cleaning and detergent formulations, it can be converted to surfactant precursors and contribute to cleansing systems as a fatty-acid-derived component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.09
    methanol 42.68
    isopropanol 70.9
    water 0.01
    ethyl acetate 110.6
    n-propanol 60.56
    acetone 78.9
    n-butanol 76.21
    acetonitrile 17.94
    DMF 148.62
    toluene 42.09
    isobutanol 60.24
    1,4-dioxane 141.2
    methyl acetate 57.72
    THF 531.96
    2-butanone 110.24
    n-pentanol 69.46
    sec-butanol 74.4
    n-hexane 30.23
    ethylene glycol 2.19
    NMP 327.1
    cyclohexane 76.9
    DMSO 271.21
    n-butyl acetate 182.88
    n-octanol 67.1
    chloroform 202.46
    n-propyl acetate 175.92
    acetic acid 33.79
    dichloromethane 203.68
    cyclohexanone 331.92
    propylene glycol 11.8
    isopropyl acetate 140.26
    DMAc 292.85
    2-ethoxyethanol 123.42
    isopentanol 109.16
    n-heptane 28.18
    ethyl formate 42.79
    1,2-dichloroethane 186.49
    n-hexanol 75.24
    2-methoxyethanol 117.31
    isobutyl acetate 136.47
    tetrachloromethane 58.22
    n-pentyl acetate 238.51
    transcutol 695.56
    n-heptanol 67.19
    ethylbenzene 49.23
    MIBK 178.33
    2-propoxyethanol 149.77
    tert-butanol 132.62
    MTBE 177.81
    2-butoxyethanol 161.2
    propionic acid 40.26
    o-xylene 49.42
    formic acid 6.25
    diethyl ether 117.01
    m-xylene 49.68
    p-xylene 62.4
    chlorobenzene 68.6
    dimethyl carbonate 24.5
    n-octane 13.36
    formamide 13.46
    cyclopentanone 316.79
    2-pentanone 153.03
    anisole 103.48
    cyclopentyl methyl ether 252.61
    gamma-butyrolactone 242.83
    1-methoxy-2-propanol 152.56
    pyridine 108.92
    3-pentanone 103.94
    furfural 166.85
    n-dodecane 7.79
    diethylene glycol 47.16
    diisopropyl ether 71.28
    tert-amyl alcohol 133.37
    acetylacetone 166.83
    n-hexadecane 9.42
    acetophenone 131.78
    methyl propionate 78.84
    isopentyl acetate 209.59
    trichloroethylene 260.39
    n-nonanol 70.55
    cyclohexanol 126.9
    benzyl alcohol 60.17
    2-ethylhexanol 81.66
    isooctanol 80.35
    dipropyl ether 168.06
    1,2-dichlorobenzene 95.8
    ethyl lactate 64.74
    propylene carbonate 142.61
    n-methylformamide 36.76
    2-pentanol 74.92
    n-pentane 17.57
    1-propoxy-2-propanol 183.9
    1-methoxy-2-propyl acetate 194.38
    2-(2-methoxypropoxy) propanol 151.64
    mesitylene 45.61
    ε-caprolactone 278.59
    p-cymene 47.58
    epichlorohydrin 298.68
    1,1,1-trichloroethane 192.52
    2-aminoethanol 14.57
    morpholine-4-carbaldehyde 230.57
    sulfolane 520.12
    2,2,4-trimethylpentane 20.89
    2-methyltetrahydrofuran 336.38
    n-hexyl acetate 230.51
    isooctane 15.19
    2-(2-butoxyethoxy)ethanol 214.85
    sec-butyl acetate 156.14
    tert-butyl acetate 231.37
    decalin 37.59
    glycerin 19.35
    diglyme 438.36
    acrylic acid 21.0
    isopropyl myristate 91.22
    n-butyric acid 123.17
    acetyl acetate 62.12
    di(2-ethylhexyl) phthalate 62.44
    ethyl propionate 132.05
    nitromethane 70.06
    1,2-diethoxyethane 284.26
    benzonitrile 62.02
    trioctyl phosphate 52.29
    1-bromopropane 134.27
    gamma-valerolactone 398.75
    n-decanol 47.06
    triethyl phosphate 91.93
    4-methyl-2-pentanol 68.93
    propionitrile 32.36
    vinylene carbonate 86.72
    1,1,2-trichlorotrifluoroethane 181.85
    DMS 87.76
    cumene 45.55
    2-octanol 62.89
    2-hexanone 177.24
    octyl acetate 99.5
    limonene 91.46
    1,2-dimethoxyethane 280.93
    ethyl orthosilicate 103.11
    tributyl phosphate 69.91
    diacetone alcohol 217.36
    N,N-dimethylaniline 95.71
    acrylonitrile 27.19
    aniline 47.77
    1,3-propanediol 40.41
    bromobenzene 81.99
    dibromomethane 151.65
    1,1,2,2-tetrachloroethane 314.77
    2-methyl-cyclohexyl acetate 181.14
    tetrabutyl urea 111.13
    diisobutyl methanol 71.13
    2-phenylethanol 68.42
    styrene 50.0
    dioctyl adipate 138.63
    dimethyl sulfate 68.85
    ethyl butyrate 177.41
    methyl lactate 44.99
    butyl lactate 148.76
    diethyl carbonate 84.32
    propanediol butyl ether 128.22
    triethyl orthoformate 157.07
    p-tert-butyltoluene 49.14
    methyl 4-tert-butylbenzoate 171.39
    morpholine 237.17
    tert-butylamine 95.02
    n-dodecanol 33.31
    dimethoxymethane 122.84
    ethylene carbonate 84.44
    cyrene 143.52
    2-ethoxyethyl acetate 220.99
    2-ethylhexyl acetate 174.18
    1,2,4-trichlorobenzene 111.74
    4-methylpyridine 123.67
    dibutyl ether 187.41
    2,6-dimethyl-4-heptanol 71.13
    DEF 183.85
    dimethyl isosorbide 335.6
    tetrachloroethylene 183.4
    eugenol 127.65
    triacetin 208.8
    span 80 145.48
    1,4-butanediol 16.52
    1,1-dichloroethane 143.7
    2-methyl-1-pentanol 92.82
    methyl formate 21.05
    2-methyl-1-butanol 85.83
    n-decane 18.15
    butyronitrile 59.44
    3,7-dimethyl-1-octanol 88.49
    1-chlorooctane 75.31
    1-chlorotetradecane 24.33
    n-nonane 17.7
    undecane 11.07
    tert-butylcyclohexane 31.25
    cyclooctane 22.7
    cyclopentanol 117.78
    tetrahydropyran 275.41
    tert-amyl methyl ether 161.86
    2,5,8-trioxanonane 265.33
    1-hexene 70.67
    2-isopropoxyethanol 126.93
    2,2,2-trifluoroethanol 13.37
    methyl butyrate 193.85

    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