12-Hydroxyoctadec-9-enoic acid

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  • Identifiers

    CAS number
    7431-95-0

    Molecular formula
    C18H34O3

    SMILES
    CCCCCCC(CC=CCCCCCCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 62.27%
    Oily 48.56%
    Waxy 46.29%
    Citrus 37.71%
    Fruity 34.35%
    Dairy 34.28%
    Milky 33.27%
    Lactonic 31.29%
    Peach 29.55%
    Fresh 28.77%

     

    Flavor
    Fatty 48.6%
    Waxy 42.36%
    Oily 31.25%
    Mild 29.08%
    Fat 27.39%
    Floral 25.88%
    Woody 25.12%
    Fresh 24.43%
    Faint 23.99%
    Green 23.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.6 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Flash point

    • 207.22 ˚C est.

  • Synonyms

    • 12-hydroxyoctadec-9-enoic acid
    • 7431-95-0
    • DTXSID20859274
    • RefChem:236395
    • DTXCID60809697
    • 82188-83-8
    • 12-Hydroxy-9(E)-octadecenoic acid
    • (R)-12-Hydroxy-cis-9-octadecenoic acid
    • 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-
    • SCHEMBL20992
    • MEGxp0_002003
    • orb1299273
    • 12-hydroxyl-9-octadecenoic acid
    • ACon1_000440
    • WBHHMMIMDMUBKC-UHFFFAOYSA-N
    • RICINELAIDIC ACID FREE ACID
    • AAA54012
    • SB44559
    • DB-063367
    • NS00126227
    • 7431-95-0

  • Applications

    12-Hydroxyoctadec-9-enoic acid, CAS 7431-95-0, is a hydroxy fatty acid derived from castor oil and is used as a biobased building block for polymers such as polyurethane polyols and polyester resins, improving bonding and durability in coatings and plastics; it also serves as a precursor for plasticizers and lubricants based on hydroxy fatty acids; it is a feedstock for surfactants and emulsifiers after esterification; it is used in coating and ink formulations; in cosmetics and personal care, it is used to synthesize hydroxy fatty acid esters and emollients; and in industrial manufacturing, it is regarded as a versatile intermediate for specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 193.71
    methanol 200.81
    isopropanol 143.42
    water 0.02
    ethyl acetate 92.29
    n-propanol 129.02
    acetone 138.68
    n-butanol 133.97
    acetonitrile 21.34
    DMF 238.51
    toluene 30.83
    isobutanol 99.24
    1,4-dioxane 159.85
    methyl acetate 53.64
    THF 665.19
    2-butanone 117.22
    n-pentanol 116.04
    sec-butanol 109.44
    n-hexane 13.65
    ethylene glycol 9.93
    NMP 291.97
    cyclohexane 21.35
    DMSO 613.11
    n-butyl acetate 140.57
    n-octanol 67.36
    chloroform 110.01
    n-propyl acetate 138.18
    acetic acid 66.08
    dichloromethane 108.86
    cyclohexanone 273.15
    propylene glycol 38.84
    isopropyl acetate 117.25
    DMAc 328.06
    2-ethoxyethanol 225.0
    isopentanol 154.06
    n-heptane 8.82
    ethyl formate 46.41
    1,2-dichloroethane 128.26
    n-hexanol 108.0
    2-methoxyethanol 272.12
    isobutyl acetate 108.55
    tetrachloromethane 23.79
    n-pentyl acetate 132.38
    transcutol 1007.97
    n-heptanol 67.5
    ethylbenzene 33.96
    MIBK 166.61
    2-propoxyethanol 240.59
    tert-butanol 214.33
    MTBE 176.66
    2-butoxyethanol 176.82
    propionic acid 61.47
    o-xylene 35.86
    formic acid 22.35
    diethyl ether 105.24
    m-xylene 38.85
    p-xylene 37.88
    chlorobenzene 41.57
    dimethyl carbonate 26.86
    n-octane 4.56
    formamide 39.51
    cyclopentanone 288.64
    2-pentanone 159.71
    anisole 79.88
    cyclopentyl methyl ether 226.26
    gamma-butyrolactone 227.68
    1-methoxy-2-propanol 293.87
    pyridine 92.22
    3-pentanone 85.62
    furfural 169.12
    n-dodecane 3.48
    diethylene glycol 121.44
    diisopropyl ether 50.91
    tert-amyl alcohol 169.38
    acetylacetone 176.89
    n-hexadecane 4.07
    acetophenone 98.93
    methyl propionate 76.68
    isopentyl acetate 162.77
    trichloroethylene 170.84
    n-nonanol 65.53
    cyclohexanol 138.86
    benzyl alcohol 70.42
    2-ethylhexanol 79.61
    isooctanol 68.46
    dipropyl ether 99.41
    1,2-dichlorobenzene 52.33
    ethyl lactate 66.65
    propylene carbonate 120.82
    n-methylformamide 68.76
    2-pentanol 99.65
    n-pentane 7.44
    1-propoxy-2-propanol 219.39
    1-methoxy-2-propyl acetate 186.3
    2-(2-methoxypropoxy) propanol 167.13
    mesitylene 32.13
    ε-caprolactone 231.18
    p-cymene 28.97
    epichlorohydrin 276.51
    1,1,1-trichloroethane 90.64
    2-aminoethanol 54.17
    morpholine-4-carbaldehyde 266.41
    sulfolane 481.86
    2,2,4-trimethylpentane 10.71
    2-methyltetrahydrofuran 309.12
    n-hexyl acetate 158.54
    isooctane 8.62
    2-(2-butoxyethoxy)ethanol 272.91
    sec-butyl acetate 111.43
    tert-butyl acetate 196.45
    decalin 16.22
    glycerin 61.65
    diglyme 471.48
    acrylic acid 34.55
    isopropyl myristate 57.6
    n-butyric acid 157.74
    acetyl acetate 52.89
    di(2-ethylhexyl) phthalate 54.03
    ethyl propionate 93.68
    nitromethane 106.3
    1,2-diethoxyethane 240.41
    benzonitrile 52.93
    trioctyl phosphate 42.79
    1-bromopropane 67.79
    gamma-valerolactone 392.03
    n-decanol 44.61
    triethyl phosphate 58.34
    4-methyl-2-pentanol 81.72
    propionitrile 30.99
    vinylene carbonate 73.9
    1,1,2-trichlorotrifluoroethane 206.67
    DMS 69.89
    cumene 31.2
    2-octanol 49.54
    2-hexanone 157.6
    octyl acetate 69.65
    limonene 52.71
    1,2-dimethoxyethane 338.57
    ethyl orthosilicate 66.51
    tributyl phosphate 54.96
    diacetone alcohol 259.19
    N,N-dimethylaniline 73.89
    acrylonitrile 30.42
    aniline 51.07
    1,3-propanediol 119.8
    bromobenzene 41.58
    dibromomethane 77.25
    1,1,2,2-tetrachloroethane 194.95
    2-methyl-cyclohexyl acetate 118.81
    tetrabutyl urea 81.19
    diisobutyl methanol 55.3
    2-phenylethanol 79.23
    styrene 33.74
    dioctyl adipate 98.88
    dimethyl sulfate 72.26
    ethyl butyrate 108.46
    methyl lactate 68.34
    butyl lactate 122.8
    diethyl carbonate 54.01
    propanediol butyl ether 175.01
    triethyl orthoformate 96.72
    p-tert-butyltoluene 31.09
    methyl 4-tert-butylbenzoate 124.09
    morpholine 306.86
    tert-butylamine 112.26
    n-dodecanol 30.79
    dimethoxymethane 188.58
    ethylene carbonate 70.76
    cyrene 148.33
    2-ethoxyethyl acetate 167.78
    2-ethylhexyl acetate 118.95
    1,2,4-trichlorobenzene 64.98
    4-methylpyridine 98.31
    dibutyl ether 106.02
    2,6-dimethyl-4-heptanol 55.3
    DEF 175.32
    dimethyl isosorbide 296.39
    tetrachloroethylene 117.93
    eugenol 113.5
    triacetin 154.39
    span 80 150.44
    1,4-butanediol 41.74
    1,1-dichloroethane 80.2
    2-methyl-1-pentanol 123.82
    methyl formate 33.57
    2-methyl-1-butanol 118.56
    n-decane 7.51
    butyronitrile 57.83
    3,7-dimethyl-1-octanol 79.38
    1-chlorooctane 40.88
    1-chlorotetradecane 12.97
    n-nonane 6.75
    undecane 4.82
    tert-butylcyclohexane 14.77
    cyclooctane 7.74
    cyclopentanol 139.72
    tetrahydropyran 263.65
    tert-amyl methyl ether 138.96
    2,5,8-trioxanonane 295.48
    1-hexene 51.83
    2-isopropoxyethanol 187.75
    2,2,2-trifluoroethanol 20.52
    methyl butyrate 141.53

    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