5,9,12-Octadecatrienoic acid

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  • Identifiers

    CAS number
    13237-97-3

    Molecular formula
    C18H30O2

    SMILES
    CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 83.96%
    Oily 59.97%
    Waxy 42.27%
    Green 30.25%
    Fruity 26.92%
    Dairy 26.66%
    Fishy 26.52%
    Citrus 23.06%
    Milky 21.63%
    Buttery 21.57%

     

    Flavor
    Fatty 28.01%
    Faint 25.54%
    Slightly waxy 19.05%
    Oriental 18.8%
    Delicate 18.57%
    Pumpkin 18.36%
    Diterpene 18.3%
    Low 18.24%
    Bay oil 17.93%
    Honeydew 17.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.86 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 216.14 ˚C est.

  • Synonyms

    • 5,9,12-Octadecatrienoic acid
    • 13237-97-3
    • (5E,9E,12E)-octadeca-5,9,12-trienoic acid
    • RefChem:913023
    • 5(E),9(Z),12(Z)-OCTADECATRIENOIC ACID
    • 2441-53-4
    • 5,9,12-Octadecatrienoicacid
    • trans-5,9,12-Octadecatrienoic acid
    • SCHEMBL367338
    • CHEBI:180172
    • LMFA01030342
    • Q2823302
    • 13237-97-3

  • Applications

    5,9,12-Octadecatrienoic acid (CAS 13237-97-3) is a polyunsaturated fatty acid used primarily as a chemical feedstock and intermediate for the synthesis of esters and specialty compounds across multiple industries; in cosmetics and personal care, it serves as a base oil and a precursor for conditioning esters; in coatings and inks, it functions as a drying oil component and base for oil-based formulations; in polymers and plastics, it is used to prepare polyunsaturated esters and plasticizers or derivatives that modify polymer properties; in industrial manufacturing, it supports the production of surfactants and other specialty chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.97
    methanol 309.54
    isopropanol 248.12
    water 0.01
    ethyl acetate 198.22
    n-propanol 244.81
    acetone 252.42
    n-butanol 247.46
    acetonitrile 47.31
    DMF 318.04
    toluene 63.08
    isobutanol 165.78
    1,4-dioxane 279.75
    methyl acetate 108.07
    THF 851.22
    2-butanone 244.11
    n-pentanol 222.69
    sec-butanol 212.16
    n-hexane 41.82
    ethylene glycol 11.46
    NMP 308.89
    cyclohexane 44.56
    DMSO 687.82
    n-butyl acetate 246.8
    n-octanol 80.44
    chloroform 227.33
    n-propyl acetate 237.86
    acetic acid 84.51
    dichloromethane 250.66
    cyclohexanone 392.65
    propylene glycol 48.81
    isopropyl acetate 195.29
    DMAc 443.82
    2-ethoxyethanol 327.24
    isopentanol 244.47
    n-heptane 20.07
    ethyl formate 75.53
    1,2-dichloroethane 252.27
    n-hexanol 184.08
    2-methoxyethanol 378.52
    isobutyl acetate 175.07
    tetrachloromethane 40.23
    n-pentyl acetate 180.26
    transcutol 1372.61
    n-heptanol 90.83
    ethylbenzene 59.67
    MIBK 258.93
    2-propoxyethanol 331.64
    tert-butanol 311.15
    MTBE 343.6
    2-butoxyethanol 218.99
    propionic acid 87.64
    o-xylene 58.13
    formic acid 22.39
    diethyl ether 290.89
    m-xylene 62.56
    p-xylene 64.55
    chlorobenzene 73.76
    dimethyl carbonate 38.88
    n-octane 8.4
    formamide 43.35
    cyclopentanone 377.44
    2-pentanone 301.77
    anisole 138.38
    cyclopentyl methyl ether 356.67
    gamma-butyrolactone 281.02
    1-methoxy-2-propanol 392.55
    pyridine 173.04
    3-pentanone 163.56
    furfural 201.27
    n-dodecane 5.96
    diethylene glycol 141.47
    diisopropyl ether 100.22
    tert-amyl alcohol 262.99
    acetylacetone 266.89
    n-hexadecane 6.9
    acetophenone 149.54
    methyl propionate 142.6
    isopentyl acetate 249.48
    trichloroethylene 307.05
    n-nonanol 78.96
    cyclohexanol 200.77
    benzyl alcohol 106.08
    2-ethylhexanol 131.61
    isooctanol 91.52
    dipropyl ether 203.77
    1,2-dichlorobenzene 81.8
    ethyl lactate 87.03
    propylene carbonate 146.67
    n-methylformamide 96.15
    2-pentanol 184.59
    n-pentane 21.35
    1-propoxy-2-propanol 299.29
    1-methoxy-2-propyl acetate 259.75
    2-(2-methoxypropoxy) propanol 206.02
    mesitylene 49.95
    ε-caprolactone 312.22
    p-cymene 43.74
    epichlorohydrin 418.27
    1,1,1-trichloroethane 157.03
    2-aminoethanol 70.08
    morpholine-4-carbaldehyde 316.51
    sulfolane 466.88
    2,2,4-trimethylpentane 20.11
    2-methyltetrahydrofuran 507.51
    n-hexyl acetate 211.72
    isooctane 16.8
    2-(2-butoxyethoxy)ethanol 330.29
    sec-butyl acetate 187.52
    tert-butyl acetate 276.04
    decalin 30.97
    glycerin 61.98
    diglyme 569.73
    acrylic acid 43.69
    isopropyl myristate 78.35
    n-butyric acid 224.99
    acetyl acetate 82.56
    di(2-ethylhexyl) phthalate 66.08
    ethyl propionate 170.94
    nitromethane 136.34
    1,2-diethoxyethane 417.62
    benzonitrile 85.16
    trioctyl phosphate 51.59
    1-bromopropane 176.37
    gamma-valerolactone 472.24
    n-decanol 55.66
    triethyl phosphate 82.02
    4-methyl-2-pentanol 122.9
    propionitrile 70.73
    vinylene carbonate 95.18
    1,1,2-trichlorotrifluoroethane 246.37
    DMS 99.43
    cumene 51.11
    2-octanol 63.46
    2-hexanone 284.22
    octyl acetate 91.47
    limonene 83.29
    1,2-dimethoxyethane 516.63
    ethyl orthosilicate 95.08
    tributyl phosphate 67.59
    diacetone alcohol 316.46
    N,N-dimethylaniline 117.37
    acrylonitrile 58.39
    aniline 87.72
    1,3-propanediol 145.05
    bromobenzene 79.2
    dibromomethane 182.05
    1,1,2,2-tetrachloroethane 324.49
    2-methyl-cyclohexyl acetate 170.07
    tetrabutyl urea 101.68
    diisobutyl methanol 83.67
    2-phenylethanol 115.14
    styrene 66.14
    dioctyl adipate 126.43
    dimethyl sulfate 83.92
    ethyl butyrate 183.8
    methyl lactate 81.38
    butyl lactate 145.59
    diethyl carbonate 87.6
    propanediol butyl ether 185.36
    triethyl orthoformate 146.65
    p-tert-butyltoluene 44.12
    methyl 4-tert-butylbenzoate 151.72
    morpholine 503.52
    tert-butylamine 184.69
    n-dodecanol 40.02
    dimethoxymethane 300.4
    ethylene carbonate 91.65
    cyrene 166.77
    2-ethoxyethyl acetate 231.05
    2-ethylhexyl acetate 188.92
    1,2,4-trichlorobenzene 101.77
    4-methylpyridine 183.12
    dibutyl ether 176.16
    2,6-dimethyl-4-heptanol 83.67
    DEF 293.12
    dimethyl isosorbide 367.41
    tetrachloroethylene 189.67
    eugenol 138.22
    triacetin 185.04
    span 80 183.74
    1,4-butanediol 54.21
    1,1-dichloroethane 172.93
    2-methyl-1-pentanol 211.68
    methyl formate 43.74
    2-methyl-1-butanol 200.95
    n-decane 12.07
    butyronitrile 128.28
    3,7-dimethyl-1-octanol 100.99
    1-chlorooctane 59.56
    1-chlorotetradecane 20.2
    n-nonane 11.42
    undecane 8.04
    tert-butylcyclohexane 28.51
    cyclooctane 14.41
    cyclopentanol 177.04
    tetrahydropyran 495.44
    tert-amyl methyl ether 248.06
    2,5,8-trioxanonane 361.52
    1-hexene 146.57
    2-isopropoxyethanol 257.71
    2,2,2-trifluoroethanol 19.44
    methyl butyrate 245.05

    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