Methyl erucate

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  • Identifiers

    CAS number
    1120-34-9

    Molecular formula
    C23H44O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fatty 74.26%
    Waxy 70.8%
    Oily 59.79%
    Sweet 29.05%
    Creamy 24.99%
    Odorless 24.94%
    Dairy 22.44%
    Fruity 20.96%
    Buttery 18.1%
    Milky 18.04%

     

    Flavor
    Waxy 45.11%
    Fatty 30.21%
    Faint 29.73%
    Mild 26.74%
    Bland 25.71%
    Oily 25.34%
    Slightly waxy 23.04%
    Alkane 22.46%
    Delicate 21.47%
    Bay oil 20.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    7.42 (neutral)

    Molecular weight
    352.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    410°C

    Flash point

    • 182.61 ˚C est.

  • Synonyms

    • Methyl erucate
    • Erucic acid methyl ester
    • Methyl cis-13-docosenoate
    • Methyl (Z)-docos-13-enoate
    • Methyl (Z)-13 docosenoate
    • 13-DOCOSENOIC ACID, METHYL ESTER, (Z)-
    • DT8R52277S
    • 13-Docosenoic acid, methyl ester, (13Z)-
    • EINECS 214-305-3
    • AGNIQUE ME 22U
    • Methyl (Z)-13-docosenoate
    • UNII-DT8R52277S
    • AI3-11100
    • Methyl 13-docosenoate-, cis-
    • DTXSID0051578
    • METHYL 13(Z)-DOCOSENOATE
    • BRASSIDIC ACID, METHYL ESTER
    • cis-13-Docosenoic acid, methyl ester
    • ERUCIC ACID METHYL ESTER, (Z)-
    • 13-Docosenoic acid, (Z)-, methyl ester
    • RefChem:157856
    • DTXCID8030130
    • ZYNDJIBBPLNPOW-KHPPLWFESA-N
    • 1120-34-9
    • (Z)-Methyl docos-13-enoate
    • C23H44O2
    • MFCD00027343
    • Erucic acid-methyl ester
    • methyl (13Z)-docos-13-enoate
    • Erucic acid, methyl ester
    • (Z)-Methyldocos-13-enoate
    • SCHEMBL863515
    • orb2279170
    • MSK1868
    • CHEBI:143587
    • Methyl (13Z)-13-docosenoate #
    • cis-13-Docosenoic Acidmethyl ester
    • cis-13-Docosenoic Acid Methyl Ester
    • AKOS027320366
    • HY-W099645
    • Docosenoic acid methyl ester, 13-(Z)-
    • DS-11285
    • FE158999
    • PD043937
    • CS-0152287
    • D1017
    • NS00023598
    • D89763
    • Methyl cis-13-docosenoate, analytical standard
    • 484A5D93-C760-4455-9E1E-882CFD6C2C73
    • 1120-34-9

  • Applications

    Methyl erucate is primarily used as an industrial intermediate and fatty ester feedstock. In plastics and coatings, it is commonly used as a precursor to erucamide slip agents for polymers and can function as a plasticizer or processing aid. In cosmetics and personal care, it may serve as an emollient or carrier ester in ester-based formulations. In industrial manufacturing, it supports the synthesis of specialty fatty esters and lubricants derived from long-chain acids. It may also appear as a fatty ester component in biodiesel formulations, subject to formulation specifics and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.61
    methanol 16.9
    isopropanol 21.71
    water 0.01
    ethyl acetate 185.7
    n-propanol 26.34
    acetone 93.5
    n-butanol 38.98
    acetonitrile 29.5
    DMF 129.45
    toluene 73.6
    isobutanol 30.87
    1,4-dioxane 204.8
    methyl acetate 90.63
    THF 508.76
    2-butanone 144.8
    n-pentanol 36.04
    sec-butanol 41.19
    n-hexane 24.29
    ethylene glycol 1.18
    NMP 395.31
    cyclohexane 147.3
    DMSO 194.06
    n-butyl acetate 219.26
    n-octanol 54.31
    chloroform 525.09
    n-propyl acetate 246.37
    acetic acid 36.94
    dichloromethane 578.14
    cyclohexanone 553.02
    propylene glycol 4.89
    isopropyl acetate 205.41
    DMAc 335.85
    2-ethoxyethanol 83.51
    isopentanol 62.63
    n-heptane 28.77
    ethyl formate 60.74
    1,2-dichloroethane 385.91
    n-hexanol 37.02
    2-methoxyethanol 68.82
    isobutyl acetate 164.75
    tetrachloromethane 141.68
    n-pentyl acetate 359.67
    transcutol 682.59
    n-heptanol 47.27
    ethylbenzene 70.47
    MIBK 208.63
    2-propoxyethanol 89.62
    tert-butanol 65.7
    MTBE 158.9
    2-butoxyethanol 130.51
    propionic acid 39.78
    o-xylene 79.8
    formic acid 5.96
    diethyl ether 122.36
    m-xylene 66.1
    p-xylene 102.16
    chlorobenzene 140.95
    dimethyl carbonate 35.83
    n-octane 14.68
    formamide 14.56
    cyclopentanone 448.79
    2-pentanone 194.09
    anisole 155.06
    cyclopentyl methyl ether 312.03
    gamma-butyrolactone 358.59
    1-methoxy-2-propanol 90.31
    pyridine 200.8
    3-pentanone 160.34
    furfural 256.54
    n-dodecane 7.66
    diethylene glycol 25.85
    diisopropyl ether 73.8
    tert-amyl alcohol 89.86
    acetylacetone 248.11
    n-hexadecane 9.67
    acetophenone 193.4
    methyl propionate 112.17
    isopentyl acetate 233.26
    trichloroethylene 638.73
    n-nonanol 59.46
    cyclohexanol 122.3
    benzyl alcohol 65.68
    2-ethylhexanol 58.98
    isooctanol 59.46
    dipropyl ether 170.63
    1,2-dichlorobenzene 203.44
    ethyl lactate 68.53
    propylene carbonate 211.83
    n-methylformamide 34.54
    2-pentanol 41.94
    n-pentane 15.11
    1-propoxy-2-propanol 125.14
    1-methoxy-2-propyl acetate 219.65
    2-(2-methoxypropoxy) propanol 148.02
    mesitylene 62.47
    ε-caprolactone 454.47
    p-cymene 60.36
    epichlorohydrin 458.69
    1,1,1-trichloroethane 466.21
    2-aminoethanol 6.39
    morpholine-4-carbaldehyde 282.64
    sulfolane 642.21
    2,2,4-trimethylpentane 21.36
    2-methyltetrahydrofuran 409.59
    n-hexyl acetate 300.77
    isooctane 12.02
    2-(2-butoxyethoxy)ethanol 197.4
    sec-butyl acetate 215.98
    tert-butyl acetate 315.78
    decalin 47.51
    glycerin 9.75
    diglyme 537.91
    acrylic acid 25.48
    isopropyl myristate 98.6
    n-butyric acid 122.91
    acetyl acetate 121.68
    di(2-ethylhexyl) phthalate 69.04
    ethyl propionate 204.0
    nitromethane 110.03
    1,2-diethoxyethane 331.12
    benzonitrile 92.95
    trioctyl phosphate 49.95
    1-bromopropane 214.69
    gamma-valerolactone 565.61
    n-decanol 36.88
    triethyl phosphate 132.5
    4-methyl-2-pentanol 41.64
    propionitrile 44.67
    vinylene carbonate 146.39
    1,1,2-trichlorotrifluoroethane 253.57
    DMS 130.1
    cumene 55.94
    2-octanol 50.91
    2-hexanone 214.39
    octyl acetate 112.09
    limonene 124.81
    1,2-dimethoxyethane 311.67
    ethyl orthosilicate 142.04
    tributyl phosphate 72.44
    diacetone alcohol 208.97
    N,N-dimethylaniline 118.92
    acrylonitrile 40.35
    aniline 64.52
    1,3-propanediol 17.39
    bromobenzene 186.94
    dibromomethane 366.22
    1,1,2,2-tetrachloroethane 693.12
    2-methyl-cyclohexyl acetate 224.07
    tetrabutyl urea 123.62
    diisobutyl methanol 59.03
    2-phenylethanol 63.17
    styrene 77.35
    dioctyl adipate 170.38
    dimethyl sulfate 98.7
    ethyl butyrate 259.65
    methyl lactate 41.57
    butyl lactate 163.29
    diethyl carbonate 128.33
    propanediol butyl ether 94.39
    triethyl orthoformate 214.9
    p-tert-butyltoluene 58.04
    methyl 4-tert-butylbenzoate 234.46
    morpholine 265.27
    tert-butylamine 50.43
    n-dodecanol 25.61
    dimethoxymethane 113.74
    ethylene carbonate 142.2
    cyrene 158.09
    2-ethoxyethyl acetate 341.5
    2-ethylhexyl acetate 213.29
    1,2,4-trichlorobenzene 237.9
    4-methylpyridine 199.3
    dibutyl ether 214.49
    2,6-dimethyl-4-heptanol 59.03
    DEF 261.42
    dimethyl isosorbide 383.38
    tetrachloroethylene 406.35
    eugenol 154.73
    triacetin 315.77
    span 80 145.31
    1,4-butanediol 8.56
    1,1-dichloroethane 293.99
    2-methyl-1-pentanol 58.8
    methyl formate 25.8
    2-methyl-1-butanol 55.13
    n-decane 19.55
    butyronitrile 70.39
    3,7-dimethyl-1-octanol 70.85
    1-chlorooctane 90.24
    1-chlorotetradecane 25.39
    n-nonane 19.41
    undecane 11.13
    tert-butylcyclohexane 31.9
    cyclooctane 34.58
    cyclopentanol 96.61
    tetrahydropyran 350.94
    tert-amyl methyl ether 172.71
    2,5,8-trioxanonane 293.9
    1-hexene 55.16
    2-isopropoxyethanol 87.97
    2,2,2-trifluoroethanol 20.42
    methyl butyrate 288.66

    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