cis-13-Octadecenoic acid

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  • Identifiers

    CAS number
    13126-39-1

    Molecular formula
    C18H34O2

    SMILES
    CCCC/C=C\CCCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 81.91%
    Waxy 70.21%
    Oily 53.15%
    Dairy 30.21%
    Creamy 27.35%
    Milky 24.87%
    Meaty 24.51%
    Odorless 23.45%
    Savory 22.6%
    Sweet 21.18%

     

    Flavor
    Fatty 53.59%
    Waxy 43.53%
    Faint 34.11%
    Fat 29.88%
    Mild 28.27%
    Slightly waxy 24.78%
    Oily 24.55%
    Bland 23.76%
    Bay oil 22.99%
    Odorless 21.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.02 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Melting point expt.

    • 26.5 - 27 °C

    Flash point

    • 192.34 ˚C est.

  • Synonyms

    • cis-13-Octadecenoic acid
    • DTXSID301312948
    • RefChem:577298
    • DTXCID601742784
    • (Z)-octadec-13-enoic acid
    • 13126-39-1
    • 13-Octadecenoic acid, (13Z)-
    • 13Z-octadecenoic acid
    • (13Z)-octadecenoic acid
    • C18:1n-5
    • 13(Z)-Octadecenoic acid
    • (Z)-13-Octadecenoic acid
    • orb2283267
    • SCHEMBL2432783
    • CHEBI:82617
    • LMFA01030290
    • HY-W683479
    • CS-0767288
    • G67511
    • Q27156133
    • 13126-39-1

  • Applications

    Cis-13-Octadecenoic acid (CAS 13126-39-1) is a long-chain monounsaturated fatty acid that serves as an oleochemical feedstock for the production of esters and other derivatives used as surfactants, detergents, and cosmetic ingredients. Its derivatives are employed in personal care and cosmetics for emolliency and emulsification. It also serves as a raw material for lubricants and plasticizers for polymers such as PVC and polyolefins. In coatings and inks, its esters and related derivatives are used as processing aids and additives to improve flow, gloss, and formulation stability. As a base for further oleochemical products, it is used to make other additives for plastics and cleaners, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.76
    methanol 130.0
    isopropanol 222.72
    water 0.01
    ethyl acetate 219.94
    n-propanol 180.33
    acetone 204.02
    n-butanol 209.05
    acetonitrile 45.35
    DMF 313.4
    toluene 78.48
    isobutanol 167.61
    1,4-dioxane 274.05
    methyl acetate 112.88
    THF 939.77
    2-butanone 237.54
    n-pentanol 186.66
    sec-butanol 199.86
    n-hexane 78.7
    ethylene glycol 5.84
    NMP 463.71
    cyclohexane 137.14
    DMSO 534.12
    n-butyl acetate 336.89
    n-octanol 115.61
    chloroform 311.8
    n-propyl acetate 309.27
    acetic acid 68.66
    dichloromethane 321.39
    cyclohexanone 553.82
    propylene glycol 30.98
    isopropyl acetate 258.09
    DMAc 443.06
    2-ethoxyethanol 256.0
    isopentanol 263.18
    n-heptane 53.27
    ethyl formate 82.44
    1,2-dichloroethane 318.41
    n-hexanol 181.68
    2-methoxyethanol 264.34
    isobutyl acetate 235.58
    tetrachloromethane 83.71
    n-pentyl acetate 342.83
    transcutol 1139.21
    n-heptanol 122.51
    ethylbenzene 83.36
    MIBK 320.4
    2-propoxyethanol 304.22
    tert-butanol 333.95
    MTBE 389.89
    2-butoxyethanol 265.16
    propionic acid 85.62
    o-xylene 81.71
    formic acid 11.97
    diethyl ether 294.25
    m-xylene 87.17
    p-xylene 103.13
    chlorobenzene 114.99
    dimethyl carbonate 40.86
    n-octane 21.42
    formamide 25.91
    cyclopentanone 522.37
    2-pentanone 318.45
    anisole 169.1
    cyclopentyl methyl ether 454.12
    gamma-butyrolactone 387.78
    1-methoxy-2-propanol 331.89
    pyridine 196.39
    3-pentanone 190.69
    furfural 265.49
    n-dodecane 12.42
    diethylene glycol 101.04
    diisopropyl ether 141.97
    tert-amyl alcohol 301.86
    acetylacetone 287.95
    n-hexadecane 14.89
    acetophenone 196.48
    methyl propionate 148.84
    isopentyl acetate 358.56
    trichloroethylene 409.48
    n-nonanol 116.61
    cyclohexanol 270.15
    benzyl alcohol 110.77
    2-ethylhexanol 163.78
    isooctanol 137.45
    dipropyl ether 317.31
    1,2-dichlorobenzene 144.12
    ethyl lactate 104.73
    propylene carbonate 216.86
    n-methylformamide 80.2
    2-pentanol 198.35
    n-pentane 43.17
    1-propoxy-2-propanol 332.77
    1-methoxy-2-propyl acetate 310.04
    2-(2-methoxypropoxy) propanol 224.62
    mesitylene 74.9
    ε-caprolactone 441.39
    p-cymene 70.66
    epichlorohydrin 493.54
    1,1,1-trichloroethane 292.92
    2-aminoethanol 40.5
    morpholine-4-carbaldehyde 367.53
    sulfolane 741.61
    2,2,4-trimethylpentane 35.29
    2-methyltetrahydrofuran 614.63
    n-hexyl acetate 347.66
    isooctane 28.11
    2-(2-butoxyethoxy)ethanol 346.95
    sec-butyl acetate 261.95
    tert-butyl acetate 372.47
    decalin 60.94
    glycerin 43.05
    diglyme 639.57
    acrylic acid 41.28
    isopropyl myristate 132.24
    n-butyric acid 255.24
    acetyl acetate 102.39
    di(2-ethylhexyl) phthalate 92.9
    ethyl propionate 226.47
    nitromethane 129.32
    1,2-diethoxyethane 470.98
    benzonitrile 111.82
    trioctyl phosphate 79.33
    1-bromopropane 253.73
    gamma-valerolactone 631.49
    n-decanol 80.69
    triethyl phosphate 126.39
    4-methyl-2-pentanol 151.04
    propionitrile 77.78
    vinylene carbonate 133.86
    1,1,2-trichlorotrifluoroethane 285.47
    DMS 133.25
    cumene 73.58
    2-octanol 108.01
    2-hexanone 333.49
    octyl acetate 149.85
    limonene 140.05
    1,2-dimethoxyethane 503.96
    ethyl orthosilicate 141.13
    tributyl phosphate 103.65
    diacetone alcohol 369.45
    N,N-dimethylaniline 146.51
    acrylonitrile 60.96
    aniline 92.14
    1,3-propanediol 102.9
    bromobenzene 132.65
    dibromomethane 250.83
    1,1,2,2-tetrachloroethane 482.66
    2-methyl-cyclohexyl acetate 257.75
    tetrabutyl urea 152.78
    diisobutyl methanol 123.64
    2-phenylethanol 127.0
    styrene 88.94
    dioctyl adipate 191.08
    dimethyl sulfate 102.37
    ethyl butyrate 280.71
    methyl lactate 78.98
    butyl lactate 218.73
    diethyl carbonate 129.54
    propanediol butyl ether 209.55
    triethyl orthoformate 225.54
    p-tert-butyltoluene 72.56
    methyl 4-tert-butylbenzoate 225.21
    morpholine 491.96
    tert-butylamine 234.86
    n-dodecanol 58.0
    dimethoxymethane 247.47
    ethylene carbonate 132.89
    cyrene 200.7
    2-ethoxyethyl acetate 318.11
    2-ethylhexyl acetate 287.39
    1,2,4-trichlorobenzene 164.1
    4-methylpyridine 228.8
    dibutyl ether 302.58
    2,6-dimethyl-4-heptanol 123.64
    DEF 336.9
    dimethyl isosorbide 451.68
    tetrachloroethylene 280.49
    eugenol 179.23
    triacetin 279.7
    span 80 221.74
    1,4-butanediol 39.66
    1,1-dichloroethane 253.85
    2-methyl-1-pentanol 202.08
    methyl formate 41.19
    2-methyl-1-butanol 206.6
    n-decane 28.24
    butyronitrile 143.72
    3,7-dimethyl-1-octanol 149.09
    1-chlorooctane 119.66
    1-chlorotetradecane 39.03
    n-nonane 28.03
    undecane 17.51
    tert-butylcyclohexane 52.51
    cyclooctane 38.9
    cyclopentanol 249.97
    tetrahydropyran 573.64
    tert-amyl methyl ether 304.74
    2,5,8-trioxanonane 389.13
    1-hexene 184.64
    2-isopropoxyethanol 245.65
    2,2,2-trifluoroethanol 21.81
    methyl butyrate 327.77

    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