(11E)-13-Hydroxy-10-oxo-11-octadecenoic acid

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  • Identifiers

    CAS number
    28979-44-4

    Molecular formula
    C18H32O4

    SMILES
    CCCCCC(/C=C/C(=O)CCCCCCCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 36.5%
    Lactonic 35.04%
    Peach 34.15%
    Fruity 32.82%
    Savory 31.56%
    Oily 31.19%
    Milky 30.83%
    Buttery 29.6%
    Herbal 27.34%
    Sweet 27.25%

     

    Flavor
    Fruity 36.17%
    Oily 34.09%
    Fatty 33.62%
    Waxy 31.1%
    Herbal 29.22%
    Odorless 29.2%
    Mild 24.68%
    Green 24.29%
    Mushroom 22.88%
    Cheese 21.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.02 (neutral)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    427°C

    Melting point expt.

    • 64 °C

    Flash point

    • 212.97 ˚C est.

  • Synonyms

    • 13-HO-18C Acid
    • 28979-44-4
    • 13-Hydroxy-10-oxo-11-octadecenoic acid
    • (11E)-13-hydroxy-10-oxo-11-octadecenoic acid
    • DTXSID901258049
    • RefChem:905633
    • DTXCID901688781
    • 10-oxo-13-hydroxy-11-octadecenoic acid
    • (E)-13-hydroxy-10-oxooctadec-11-enoic acid
    • (E)-13-Hydroxy-10-oxo-11-octadecenoic acid
    • SCHEMBL3486653
    • (11E)-13-HYDROXY-10-OXOOCTADEC-11-ENOIC ACID
    • CHEBI:138786
    • LMFA02000249
    • 10-oxo-13-hydroxy-11E-octadecenoic acid
    • 13-hydroxy-10-oxo-11E-octadecenoic acid
    • 13-Hydroxy-10-oxo-(E)-11-Octadecenoic acid
    • 11-Octadecenoic acid, 13-hydroxy-10-oxo-, (E)-
    • (+/-)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid
    • (+/-)-13-hydroxy-10-oxo-trans-11-octadecenoic acid
    • 28979-44-4

  • Applications

    For the compound (11E)-13-Hydroxy-10-oxo-11-octadecenoic acid (CAS 28979-44-4), practical applications are typically centered on its role as an intermediate in the synthesis of specialized fatty acid derivatives and as a building block for polymer materials; it is also evaluated as a precursor for surfactant-grade products and cosmetic/personal care ingredients; it can serve as a functional-component base for cleaning formulations; it is considered as a component for coatings/inks requiring a functional fatty acid-derived moiety; and it may be used as an intermediate or additive in plastics, lubricants, and related formulations. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.29
    methanol 182.67
    isopropanol 67.41
    water 0.06
    ethyl acetate 42.06
    n-propanol 66.69
    acetone 88.25
    n-butanol 60.05
    acetonitrile 16.19
    DMF 247.02
    toluene 14.41
    isobutanol 42.6
    1,4-dioxane 83.51
    methyl acetate 35.95
    THF 363.47
    2-butanone 66.59
    n-pentanol 54.92
    sec-butanol 50.4
    n-hexane 2.67
    ethylene glycol 12.02
    NMP 274.45
    cyclohexane 4.15
    DMSO 640.35
    n-butyl acetate 57.53
    n-octanol 27.51
    chloroform 63.27
    n-propyl acetate 59.0
    acetic acid 68.21
    dichloromethane 72.02
    cyclohexanone 160.74
    propylene glycol 33.7
    isopropyl acetate 51.08
    DMAc 363.69
    2-ethoxyethanol 152.18
    isopentanol 67.86
    n-heptane 1.52
    ethyl formate 29.47
    1,2-dichloroethane 75.54
    n-hexanol 41.86
    2-methoxyethanol 201.9
    isobutyl acetate 46.2
    tetrachloromethane 9.86
    n-pentyl acetate 53.15
    transcutol 562.07
    n-heptanol 27.8
    ethylbenzene 16.93
    MIBK 72.0
    2-propoxyethanol 133.37
    tert-butanol 98.41
    MTBE 58.08
    2-butoxyethanol 91.7
    propionic acid 46.09
    o-xylene 19.71
    formic acid 34.79
    diethyl ether 32.42
    m-xylene 17.2
    p-xylene 20.35
    chlorobenzene 23.04
    dimethyl carbonate 22.9
    n-octane 1.23
    formamide 63.86
    cyclopentanone 194.88
    2-pentanone 70.35
    anisole 48.81
    cyclopentyl methyl ether 95.65
    gamma-butyrolactone 173.77
    1-methoxy-2-propanol 187.25
    pyridine 62.72
    3-pentanone 42.19
    furfural 135.05
    n-dodecane 1.21
    diethylene glycol 95.8
    diisopropyl ether 15.19
    tert-amyl alcohol 76.03
    acetylacetone 109.03
    n-hexadecane 1.4
    acetophenone 64.42
    methyl propionate 43.3
    isopentyl acetate 70.89
    trichloroethylene 111.71
    n-nonanol 27.64
    cyclohexanol 59.4
    benzyl alcohol 48.21
    2-ethylhexanol 29.11
    isooctanol 27.1
    dipropyl ether 27.33
    1,2-dichlorobenzene 30.01
    ethyl lactate 43.04
    propylene carbonate 87.13
    n-methylformamide 70.52
    2-pentanol 36.49
    n-pentane 1.45
    1-propoxy-2-propanol 100.43
    1-methoxy-2-propyl acetate 94.47
    2-(2-methoxypropoxy) propanol 105.42
    mesitylene 13.2
    ε-caprolactone 132.97
    p-cymene 12.71
    epichlorohydrin 179.84
    1,1,1-trichloroethane 45.37
    2-aminoethanol 48.32
    morpholine-4-carbaldehyde 206.46
    sulfolane 371.82
    2,2,4-trimethylpentane 2.94
    2-methyltetrahydrofuran 137.54
    n-hexyl acetate 67.0
    isooctane 2.08
    2-(2-butoxyethoxy)ethanol 164.33
    sec-butyl acetate 46.91
    tert-butyl acetate 88.82
    decalin 5.32
    glycerin 60.35
    diglyme 273.27
    acrylic acid 35.22
    isopropyl myristate 25.63
    n-butyric acid 83.19
    acetyl acetate 33.89
    di(2-ethylhexyl) phthalate 32.6
    ethyl propionate 43.07
    nitromethane 108.15
    1,2-diethoxyethane 101.84
    benzonitrile 35.76
    trioctyl phosphate 22.51
    1-bromopropane 29.22
    gamma-valerolactone 274.11
    n-decanol 19.14
    triethyl phosphate 31.73
    4-methyl-2-pentanol 32.27
    propionitrile 18.4
    vinylene carbonate 57.8
    1,1,2-trichlorotrifluoroethane 150.66
    DMS 45.03
    cumene 15.36
    2-octanol 18.85
    2-hexanone 71.07
    octyl acetate 32.33
    limonene 20.5
    1,2-dimethoxyethane 208.12
    ethyl orthosilicate 33.51
    tributyl phosphate 30.22
    diacetone alcohol 140.8
    N,N-dimethylaniline 44.27
    acrylonitrile 23.71
    aniline 30.27
    1,3-propanediol 83.72
    bromobenzene 21.86
    dibromomethane 44.41
    1,1,2,2-tetrachloroethane 117.43
    2-methyl-cyclohexyl acetate 56.29
    tetrabutyl urea 46.39
    diisobutyl methanol 20.46
    2-phenylethanol 43.32
    styrene 18.96
    dioctyl adipate 50.72
    dimethyl sulfate 67.32
    ethyl butyrate 44.37
    methyl lactate 51.69
    butyl lactate 61.9
    diethyl carbonate 27.9
    propanediol butyl ether 98.08
    triethyl orthoformate 42.01
    p-tert-butyltoluene 12.94
    methyl 4-tert-butylbenzoate 74.75
    morpholine 159.94
    tert-butylamine 44.28
    n-dodecanol 13.35
    dimethoxymethane 127.43
    ethylene carbonate 49.69
    cyrene 105.94
    2-ethoxyethyl acetate 83.08
    2-ethylhexyl acetate 49.97
    1,2,4-trichlorobenzene 39.91
    4-methylpyridine 63.3
    dibutyl ether 35.97
    2,6-dimethyl-4-heptanol 20.46
    DEF 104.62
    dimethyl isosorbide 185.84
    tetrachloroethylene 65.63
    eugenol 72.33
    triacetin 86.39
    span 80 86.45
    1,4-butanediol 32.05
    1,1-dichloroethane 41.84
    2-methyl-1-pentanol 61.49
    methyl formate 36.53
    2-methyl-1-butanol 52.76
    n-decane 2.26
    butyronitrile 28.17
    3,7-dimethyl-1-octanol 31.46
    1-chlorooctane 13.95
    1-chlorotetradecane 5.14
    n-nonane 1.89
    undecane 1.59
    tert-butylcyclohexane 4.49
    cyclooctane 1.63
    cyclopentanol 71.39
    tetrahydropyran 96.1
    tert-amyl methyl ether 52.63
    2,5,8-trioxanonane 194.55
    1-hexene 14.71
    2-isopropoxyethanol 103.72
    2,2,2-trifluoroethanol 24.98
    methyl butyrate 71.02

    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