Methyl cis-icos-11-enoate

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  • Identifiers

    CAS number
    2390-09-2

    Molecular formula
    C21H40O2

    SMILES
    CCCCCCCC/C=C/CCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 76.38%
    Waxy 69.07%
    Oily 62.45%
    Sweet 31.45%
    Creamy 27.16%
    Fruity 26.52%
    Dairy 25.05%
    Odorless 23.42%
    Buttery 20.37%
    Milky 19.99%

     

    Flavor
    Waxy 44.7%
    Fatty 31.13%
    Faint 29.66%
    Oily 26.59%
    Mild 25.82%
    Bland 24.3%
    Slightly waxy 23.01%
    Delicate 21.47%
    Bay oil 20.9%
    Beer 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.7

    pKa est.
    7.28 (neutral)

    Molecular weight
    324.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 170.99 ˚C est.

  • Synonyms

    • Methyl cis-icos-11-enoate
    • 2390-09-2
    • EINECS 219-226-8
    • RefChem:817684
    • 219-226-8
    • 69119-90-0
    • METHYL TRANS-11-EICOSENOATE
    • 11-Eicosenoic acid, methyl ester
    • methyl (E)-icos-11-enoate
    • 11-eicosenoic acid methyl ester
    • Methyl 11-trans-Eicosenoate
    • Methyl (11E)-11-icosenoate
    • SCHEMBL2189519
    • Methyl (11E)-11-eicosenoate
    • RBKMRGOHCLRTLZ-ZHACJKMWSA-N
    • DTXSID701346307
    • Methyl (11E)-11-icosenoate #
    • MFCD01074750
    • trans-11-Eicosenoic acid methyl ester
    • Q63399176
    • 69119-90-0

  • Applications

    Methyl cis-icos-11-enoate (CAS 2390-09-2) is a long-chain fatty acid methyl ester that may be used as a renewable feedstock and building block in the production of biodiesel and specialty esters; in industrial formulations it can act as a lubricant base or additive; in cosmetics and personal care it serves as an emollient and formulation intermediate; in perfumery it may be evaluated as a fragrance ingredient or fixative; and in coatings, inks and polymer syntheses it can function as a precursor for polyester materials and plasticizers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.11
    methanol 46.3
    isopropanol 75.1
    water 0.01
    ethyl acetate 420.81
    n-propanol 78.97
    acetone 225.38
    n-butanol 112.5
    acetonitrile 73.1
    DMF 268.79
    toluene 148.59
    isobutanol 84.62
    1,4-dioxane 422.84
    methyl acetate 196.15
    THF 934.36
    2-butanone 319.0
    n-pentanol 89.91
    sec-butanol 112.69
    n-hexane 50.97
    ethylene glycol 2.63
    NMP 595.04
    cyclohexane 275.26
    DMSO 384.99
    n-butyl acetate 436.74
    n-octanol 93.44
    chloroform 906.09
    n-propyl acetate 494.53
    acetic acid 74.09
    dichloromethane 1023.58
    cyclohexanone 996.69
    propylene glycol 11.66
    isopropyl acetate 412.87
    DMAc 564.18
    2-ethoxyethanol 183.34
    isopentanol 161.43
    n-heptane 51.83
    ethyl formate 128.65
    1,2-dichloroethane 728.67
    n-hexanol 89.74
    2-methoxyethanol 162.67
    isobutyl acetate 314.33
    tetrachloromethane 225.93
    n-pentyl acetate 563.08
    transcutol 1207.06
    n-heptanol 86.19
    ethylbenzene 130.03
    MIBK 397.01
    2-propoxyethanol 191.0
    tert-butanol 176.25
    MTBE 365.5
    2-butoxyethanol 223.84
    propionic acid 80.72
    o-xylene 145.33
    formic acid 10.64
    diethyl ether 322.03
    m-xylene 129.0
    p-xylene 183.51
    chlorobenzene 255.45
    dimethyl carbonate 64.0
    n-octane 23.63
    formamide 26.7
    cyclopentanone 795.74
    2-pentanone 421.61
    anisole 276.18
    cyclopentyl methyl ether 585.43
    gamma-butyrolactone 624.41
    1-methoxy-2-propanol 205.49
    pyridine 393.02
    3-pentanone 318.2
    furfural 432.14
    n-dodecane 12.19
    diethylene glycol 56.15
    diisopropyl ether 153.74
    tert-amyl alcohol 206.48
    acetylacetone 470.34
    n-hexadecane 15.39
    acetophenone 317.43
    methyl propionate 238.73
    isopentyl acetate 431.83
    trichloroethylene 1088.15
    n-nonanol 98.79
    cyclohexanol 267.18
    benzyl alcohol 128.07
    2-ethylhexanol 119.55
    isooctanol 104.78
    dipropyl ether 329.56
    1,2-dichlorobenzene 334.49
    ethyl lactate 121.71
    propylene carbonate 351.7
    n-methylformamide 72.61
    2-pentanol 114.15
    n-pentane 33.41
    1-propoxy-2-propanol 245.1
    1-methoxy-2-propyl acetate 392.29
    2-(2-methoxypropoxy) propanol 229.35
    mesitylene 112.5
    ε-caprolactone 782.69
    p-cymene 100.61
    epichlorohydrin 825.55
    1,1,1-trichloroethane 796.29
    2-aminoethanol 14.96
    morpholine-4-carbaldehyde 481.71
    sulfolane 969.96
    2,2,4-trimethylpentane 36.45
    2-methyltetrahydrofuran 792.34
    n-hexyl acetate 489.96
    isooctane 22.51
    2-(2-butoxyethoxy)ethanol 327.67
    sec-butyl acetate 403.6
    tert-butyl acetate 565.75
    decalin 82.12
    glycerin 20.21
    diglyme 826.57
    acrylic acid 48.59
    isopropyl myristate 156.6
    n-butyric acid 261.19
    acetyl acetate 227.21
    di(2-ethylhexyl) phthalate 109.38
    ethyl propionate 397.13
    nitromethane 212.24
    1,2-diethoxyethane 585.84
    benzonitrile 180.67
    trioctyl phosphate 81.29
    1-bromopropane 444.33
    gamma-valerolactone 964.05
    n-decanol 62.93
    triethyl phosphate 196.48
    4-methyl-2-pentanol 96.2
    propionitrile 111.11
    vinylene carbonate 243.02
    1,1,2-trichlorotrifluoroethane 428.37
    DMS 211.93
    cumene 97.35
    2-octanol 89.08
    2-hexanone 415.17
    octyl acetate 182.59
    limonene 212.7
    1,2-dimethoxyethane 599.02
    ethyl orthosilicate 210.03
    tributyl phosphate 115.76
    diacetone alcohol 384.68
    N,N-dimethylaniline 197.37
    acrylonitrile 93.84
    aniline 130.51
    1,3-propanediol 43.47
    bromobenzene 334.75
    dibromomethane 661.49
    1,1,2,2-tetrachloroethane 1149.23
    2-methyl-cyclohexyl acetate 357.73
    tetrabutyl urea 187.2
    diisobutyl methanol 105.33
    2-phenylethanol 120.52
    styrene 148.2
    dioctyl adipate 258.36
    dimethyl sulfate 155.76
    ethyl butyrate 456.07
    methyl lactate 75.16
    butyl lactate 258.2
    diethyl carbonate 215.65
    propanediol butyl ether 164.28
    triethyl orthoformate 342.4
    p-tert-butyltoluene 95.76
    methyl 4-tert-butylbenzoate 331.73
    morpholine 590.23
    tert-butylamine 130.36
    n-dodecanol 44.61
    dimethoxymethane 243.03
    ethylene carbonate 244.07
    cyrene 234.91
    2-ethoxyethyl acetate 547.48
    2-ethylhexyl acetate 377.24
    1,2,4-trichlorobenzene 382.37
    4-methylpyridine 398.33
    dibutyl ether 369.39
    2,6-dimethyl-4-heptanol 105.33
    DEF 514.59
    dimethyl isosorbide 561.28
    tetrachloroethylene 680.94
    eugenol 229.74
    triacetin 462.11
    span 80 229.3
    1,4-butanediol 19.28
    1,1-dichloroethane 587.82
    2-methyl-1-pentanol 133.14
    methyl formate 50.61
    2-methyl-1-butanol 137.36
    n-decane 30.41
    butyronitrile 176.53
    3,7-dimethyl-1-octanol 123.56
    1-chlorooctane 145.56
    1-chlorotetradecane 41.84
    n-nonane 30.69
    undecane 17.64
    tert-butylcyclohexane 55.02
    cyclooctane 59.16
    cyclopentanol 210.06
    tetrahydropyran 773.35
    tert-amyl methyl ether 347.14
    2,5,8-trioxanonane 454.55
    1-hexene 127.64
    2-isopropoxyethanol 186.94
    2,2,2-trifluoroethanol 33.31
    methyl butyrate 557.19

    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