cis-12-Octadecenoic acid methyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2733-86-0

    Molecular formula
    C19H36O2

    SMILES
    CCCCC/C=C\CCCCCCCCCCC(=O)OC

  • Odor profile

    Fragrance
    Fatty 78.3%
    Waxy 67.53%
    Oily 64.51%
    Fruity 33.86%
    Sweet 33.58%
    Creamy 29.39%
    Dairy 28.07%
    Buttery 22.82%
    Milky 22.22%
    Odorless 21.35%

     

    Flavor
    Waxy 44.5%
    Fatty 31.78%
    Faint 29.13%
    Oily 27.86%
    Mild 24.57%
    Slightly waxy 22.88%
    Bland 22.41%
    Delicate 21.46%
    Bay oil 20.91%
    Beer 20.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.26 (neutral)

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 159.22 ˚C est.

  • Synonyms

    • 2733-86-0
    • CIS-12-OCTADECENOIC ACID METHYL ESTER
    • METHYL CIS-12-OCTADECENOATE
    • methyl (Z)-octadec-12-enoate
    • Methyl (12Z)-octadec-12-enoate
    • (Z)-12-Octadecenoic acid methyl ester
    • Methyl 12(Z)-Octadecenoate
    • SCHEMBL23918136
    • DTXSID70514104
    • CHEBI:167731
    • LMWAESDDOGRMOK-FPLPWBNLSA-N
    • AKOS024386328
    • DB-230114
    • HY-163375
    • CS-1010879
    • NS00096472
    • Q63409474

  • Applications

    cis-12-Octadecenoic acid methyl ester (CAS 2733-86-0) is a fatty acid methyl ester commonly used as a solvent and processing aid in industrial manufacturing, with potential applications as a biodiesel component; it also serves as a lubricant and plasticizer in polymer formulations and coatings; in cosmetics and personal care it functions as an emollient and solvent; in perfumery and flavors it can act as a carrier or solvent for fragrance ingredients; and it is frequently employed as an intermediate in the synthesis of fatty-ester-based surfactants and other additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 197.22
    methanol 155.3
    isopropanol 264.64
    water 0.01
    ethyl acetate 907.49
    n-propanol 253.43
    acetone 579.18
    n-butanol 320.39
    acetonitrile 196.77
    DMF 553.03
    toluene 299.48
    isobutanol 241.66
    1,4-dioxane 878.92
    methyl acetate 426.15
    THF 1734.24
    2-butanone 712.74
    n-pentanol 241.49
    sec-butanol 323.53
    n-hexane 119.33
    ethylene glycol 6.99
    NMP 845.39
    cyclohexane 497.34
    DMSO 765.18
    n-butyl acetate 804.98
    n-octanol 160.05
    chloroform 1542.33
    n-propyl acetate 916.95
    acetic acid 162.11
    dichloromethane 1701.99
    cyclohexanone 1700.22
    propylene glycol 30.33
    isopropyl acetate 778.51
    DMAc 884.54
    2-ethoxyethanol 412.82
    isopentanol 401.43
    n-heptane 91.78
    ethyl formate 273.31
    1,2-dichloroethane 1304.35
    n-hexanol 221.08
    2-methoxyethanol 398.56
    isobutyl acetate 546.23
    tetrachloromethane 350.27
    n-pentyl acetate 800.88
    transcutol 2119.31
    n-heptanol 155.59
    ethylbenzene 233.05
    MIBK 709.31
    2-propoxyethanol 419.28
    tert-butanol 480.37
    MTBE 867.26
    2-butoxyethanol 371.46
    propionic acid 174.96
    o-xylene 252.31
    formic acid 21.84
    diethyl ether 878.46
    m-xylene 241.52
    p-xylene 312.15
    chlorobenzene 451.81
    dimethyl carbonate 114.43
    n-octane 36.7
    formamide 53.65
    cyclopentanone 1330.6
    2-pentanone 899.89
    anisole 459.04
    cyclopentyl methyl ether 1082.57
    gamma-butyrolactone 1011.13
    1-methoxy-2-propanol 466.68
    pyridine 758.45
    3-pentanone 608.21
    furfural 693.06
    n-dodecane 18.75
    diethylene glycol 126.84
    diisopropyl ether 315.42
    tert-amyl alcohol 487.71
    acetylacetone 836.38
    n-hexadecane 23.56
    acetophenone 480.65
    methyl propionate 479.37
    isopentyl acetate 753.49
    trichloroethylene 1803.15
    n-nonanol 161.24
    cyclohexanol 559.98
    benzyl alcohol 246.04
    2-ethylhexanol 239.87
    isooctanol 180.74
    dipropyl ether 620.12
    1,2-dichlorobenzene 517.24
    ethyl lactate 206.65
    propylene carbonate 557.35
    n-methylformamide 159.12
    2-pentanol 313.52
    n-pentane 79.29
    1-propoxy-2-propanol 461.73
    1-methoxy-2-propyl acetate 655.95
    2-(2-methoxypropoxy) propanol 356.11
    mesitylene 191.83
    ε-caprolactone 1287.99
    p-cymene 155.96
    epichlorohydrin 1426.21
    1,1,1-trichloroethane 1289.35
    2-aminoethanol 40.74
    morpholine-4-carbaldehyde 779.67
    sulfolane 1365.66
    2,2,4-trimethylpentane 62.43
    2-methyltetrahydrofuran 1539.23
    n-hexyl acetate 739.71
    isooctane 42.27
    2-(2-butoxyethoxy)ethanol 530.54
    sec-butyl acetate 694.36
    tert-butyl acetate 959.69
    decalin 135.65
    glycerin 45.51
    diglyme 1249.89
    acrylic acid 96.25
    isopropyl myristate 238.78
    n-butyric acid 563.02
    acetyl acetate 413.77
    di(2-ethylhexyl) phthalate 162.43
    ethyl propionate 732.51
    nitromethane 433.43
    1,2-diethoxyethane 1030.1
    benzonitrile 342.89
    trioctyl phosphate 122.96
    1-bromopropane 878.18
    gamma-valerolactone 1544.48
    n-decanol 103.24
    triethyl phosphate 277.8
    4-methyl-2-pentanol 214.16
    propionitrile 284.91
    vinylene carbonate 394.03
    1,1,2-trichlorotrifluoroethane 699.55
    DMS 330.37
    cumene 162.77
    2-octanol 154.12
    2-hexanone 755.38
    octyl acetate 277.88
    limonene 333.17
    1,2-dimethoxyethane 1137.51
    ethyl orthosilicate 295.8
    tributyl phosphate 177.52
    diacetone alcohol 674.32
    N,N-dimethylaniline 312.2
    acrylonitrile 224.49
    aniline 270.17
    1,3-propanediol 118.31
    bromobenzene 573.48
    dibromomethane 1172.94
    1,1,2,2-tetrachloroethane 1833.7
    2-methyl-cyclohexyl acetate 529.16
    tetrabutyl urea 268.03
    diisobutyl methanol 188.3
    2-phenylethanol 227.6
    styrene 279.19
    dioctyl adipate 369.54
    dimethyl sulfate 240.61
    ethyl butyrate 747.18
    methyl lactate 134.55
    butyl lactate 380.9
    diethyl carbonate 349.42
    propanediol butyl ether 273.22
    triethyl orthoformate 510.59
    p-tert-butyltoluene 147.91
    methyl 4-tert-butylbenzoate 440.62
    morpholine 1299.86
    tert-butylamine 339.9
    n-dodecanol 74.89
    dimethoxymethane 508.46
    ethylene carbonate 399.02
    cyrene 330.98
    2-ethoxyethyl acetate 802.86
    2-ethylhexyl acetate 626.2
    1,2,4-trichlorobenzene 586.84
    4-methylpyridine 775.86
    dibutyl ether 611.52
    2,6-dimethyl-4-heptanol 188.3
    DEF 962.04
    dimethyl isosorbide 778.52
    tetrachloroethylene 1085.58
    eugenol 329.94
    triacetin 637.22
    span 80 356.3
    1,4-butanediol 47.07
    1,1-dichloroethane 1140.97
    2-methyl-1-pentanol 299.83
    methyl formate 102.44
    2-methyl-1-butanol 343.16
    n-decane 45.8
    butyronitrile 442.16
    3,7-dimethyl-1-octanol 209.57
    1-chlorooctane 225.62
    1-chlorotetradecane 65.35
    n-nonane 47.02
    undecane 26.88
    tert-butylcyclohexane 92.74
    cyclooctane 102.41
    cyclopentanol 448.57
    tetrahydropyran 1735.05
    tert-amyl methyl ether 689.43
    2,5,8-trioxanonane 686.24
    1-hexene 317.35
    2-isopropoxyethanol 387.15
    2,2,2-trifluoroethanol 55.99
    methyl butyrate 1006.65

    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