9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-

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  • Identifiers

    CAS number
    7361-80-0

    Molecular formula
    C19H32O2

    SMILES
    CCC=CCC=CCC=CCCCCCCCC(=O)OC

  • Odor profile

    Fragrance
    Fatty 80.65%
    Oily 63.2%
    Fruity 48.55%
    Waxy 43.4%
    Green 29.77%
    Citrus 27.73%
    Fishy 26.98%
    Pear 26.06%
    Herbal 25.96%
    Sweet 24.59%

     

    Flavor
    Faint 20.3%
    Oriental 18.51%
    Low 18.38%
    Delicate 18.37%
    Diterpene 18.32%
    Honeydew 17.88%
    Pumpkin 17.86%
    Slightly waxy 17.77%
    Skunky 17.38%
    Terpentine 17.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.8 (neutral)

    Molecular weight
    292.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 178.51 ˚C est.

  • Synonyms

    • methyl octadeca-9,12,15-trienoate
    • 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-
    • 7361-80-0
    • Linolenic acid methyl ester
    • 9,12,15-Octadecatrienoicacid, methyl ester
    • Methyl cis,cis,cis-9,12,15-octadecatrienoate
    • DTXSID00859313
    • AKOS028109386
    • NCI60_004707

  • Applications

    9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)- (CAS 7361-80-0) is the methyl ester of linolenic acid, an omega-3 polyunsaturated fatty acid. In industry, it is used as a renewable chemical building block and processing intermediate for synthesizing polyunsaturated lipid derivatives for cosmetics and personal care; as a biodiesel component (fatty acid methyl ester) in biofuel formulations; as an oleochemical raw material for lubricants, plasticizers, and surfactant precursors in coatings, inks, and detergents; and may be used as a solvent or diluent in industrial formulations or as an analytical reference material for fatty acid methyl ester analyses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.92
    methanol 172.83
    isopropanol 170.01
    water 0.01
    ethyl acetate 567.68
    n-propanol 193.9
    acetone 426.46
    n-butanol 226.75
    acetonitrile 145.05
    DMF 368.19
    toluene 229.56
    isobutanol 155.67
    1,4-dioxane 676.96
    methyl acetate 289.57
    THF 1235.0
    2-butanone 495.89
    n-pentanol 198.17
    sec-butanol 223.14
    n-hexane 54.94
    ethylene glycol 6.88
    NMP 511.01
    cyclohexane 207.67
    DMSO 657.71
    n-butyl acetate 432.33
    n-octanol 82.53
    chloroform 1172.74
    n-propyl acetate 532.7
    acetic acid 130.36
    dichloromethane 1417.15
    cyclohexanone 982.88
    propylene glycol 27.65
    isopropyl acetate 418.01
    DMAc 635.53
    2-ethoxyethanol 334.47
    isopentanol 246.34
    n-heptane 35.56
    ethyl formate 173.97
    1,2-dichloroethane 1023.36
    n-hexanol 156.76
    2-methoxyethanol 327.14
    isobutyl acetate 300.25
    tetrachloromethane 188.99
    n-pentyl acetate 367.26
    transcutol 1722.58
    n-heptanol 89.77
    ethylbenzene 154.74
    MIBK 389.82
    2-propoxyethanol 312.08
    tert-butanol 283.96
    MTBE 498.94
    2-butoxyethanol 228.84
    propionic acid 118.59
    o-xylene 162.28
    formic acid 21.96
    diethyl ether 608.35
    m-xylene 158.69
    p-xylene 186.39
    chlorobenzene 306.46
    dimethyl carbonate 80.65
    n-octane 14.35
    formamide 49.24
    cyclopentanone 793.43
    2-pentanone 555.27
    anisole 328.21
    cyclopentyl methyl ether 647.61
    gamma-butyrolactone 613.98
    1-methoxy-2-propanol 314.11
    pyridine 565.71
    3-pentanone 389.45
    furfural 461.63
    n-dodecane 9.08
    diethylene glycol 108.19
    diisopropyl ether 156.17
    tert-amyl alcohol 298.28
    acetylacetone 535.31
    n-hexadecane 11.1
    acetophenone 326.83
    methyl propionate 305.88
    isopentyl acetate 402.81
    trichloroethylene 1402.68
    n-nonanol 84.52
    cyclohexanol 312.85
    benzyl alcohol 186.05
    2-ethylhexanol 140.32
    isooctanol 96.68
    dipropyl ether 320.58
    1,2-dichlorobenzene 324.65
    ethyl lactate 129.12
    propylene carbonate 323.93
    n-methylformamide 111.97
    2-pentanol 188.51
    n-pentane 37.05
    1-propoxy-2-propanol 287.02
    1-methoxy-2-propyl acetate 407.62
    2-(2-methoxypropoxy) propanol 252.69
    mesitylene 111.84
    ε-caprolactone 701.63
    p-cymene 87.51
    epichlorohydrin 1040.21
    1,1,1-trichloroethane 753.74
    2-aminoethanol 37.43
    morpholine-4-carbaldehyde 498.7
    sulfolane 816.69
    2,2,4-trimethylpentane 31.35
    2-methyltetrahydrofuran 959.55
    n-hexyl acetate 359.66
    isooctane 20.37
    2-(2-butoxyethoxy)ethanol 372.18
    sec-butyl acetate 369.94
    tert-butyl acetate 502.12
    decalin 67.05
    glycerin 40.72
    diglyme 849.32
    acrylic acid 70.62
    isopropyl myristate 123.55
    n-butyric acid 340.68
    acetyl acetate 258.18
    di(2-ethylhexyl) phthalate 100.11
    ethyl propionate 413.58
    nitromethane 313.76
    1,2-diethoxyethane 684.18
    benzonitrile 235.58
    trioctyl phosphate 68.3
    1-bromopropane 635.92
    gamma-valerolactone 928.79
    n-decanol 57.27
    triethyl phosphate 162.73
    4-methyl-2-pentanol 115.47
    propionitrile 185.5
    vinylene carbonate 244.16
    1,1,2-trichlorotrifluoroethane 473.63
    DMS 205.5
    cumene 100.86
    2-octanol 71.74
    2-hexanone 479.59
    octyl acetate 144.38
    limonene 170.96
    1,2-dimethoxyethane 780.96
    ethyl orthosilicate 174.47
    tributyl phosphate 99.08
    diacetone alcohol 393.58
    N,N-dimethylaniline 213.65
    acrylonitrile 157.55
    aniline 203.98
    1,3-propanediol 95.25
    bromobenzene 387.16
    dibromomethane 934.7
    1,1,2,2-tetrachloroethane 1309.75
    2-methyl-cyclohexyl acetate 302.63
    tetrabutyl urea 153.1
    diisobutyl methanol 100.81
    2-phenylethanol 169.25
    styrene 199.68
    dioctyl adipate 212.78
    dimethyl sulfate 160.62
    ethyl butyrate 401.85
    methyl lactate 92.87
    butyl lactate 200.08
    diethyl carbonate 205.01
    propanediol butyl ether 169.56
    triethyl orthoformate 278.12
    p-tert-butyltoluene 82.26
    methyl 4-tert-butylbenzoate 259.21
    morpholine 934.14
    tert-butylamine 188.23
    n-dodecanol 42.67
    dimethoxymethane 404.62
    ethylene carbonate 231.43
    cyrene 232.8
    2-ethoxyethyl acetate 458.22
    2-ethylhexyl acetate 327.24
    1,2,4-trichlorobenzene 381.78
    4-methylpyridine 539.06
    dibutyl ether 293.5
    2,6-dimethyl-4-heptanol 100.81
    DEF 592.65
    dimethyl isosorbide 530.26
    tetrachloroethylene 747.24
    eugenol 216.93
    triacetin 355.02
    span 80 232.75
    1,4-butanediol 38.53
    1,1-dichloroethane 786.43
    2-methyl-1-pentanol 222.31
    methyl formate 71.91
    2-methyl-1-butanol 228.28
    n-decane 19.55
    butyronitrile 285.09
    3,7-dimethyl-1-octanol 111.7
    1-chlorooctane 102.32
    1-chlorotetradecane 32.84
    n-nonane 19.02
    undecane 12.42
    tert-butylcyclohexane 46.76
    cyclooctane 42.3
    cyclopentanol 239.5
    tetrahydropyran 1148.5
    tert-amyl methyl ether 410.31
    2,5,8-trioxanonane 497.19
    1-hexene 200.82
    2-isopropoxyethanol 272.87
    2,2,2-trifluoroethanol 36.15
    methyl butyrate 572.29

    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