Erucyl Erucate

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  • Identifiers

    CAS number
    27640-89-7

    Molecular formula
    C44H84O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCCOC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.87%
    Fatty 65.54%
    Oily 52.81%
    Odorless 27.05%
    Sweet 21.6%
    Fishy 18.1%
    Creamy 17.03%
    Balsamic 15.98%
    Savory 15.61%
    Meaty 14.91%

     

    Flavor
    Waxy 38.78%
    Faint 28.69%
    Bland 27.01%
    Mild 25.57%
    Alkane 25.55%
    Fatty 23.18%
    Slightly waxy 21.71%
    Delicate 20.67%
    Bay oil 19.47%
    Diterpene 19.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.8

    pKa est.
    10.34 (weak base)

    Molecular weight
    645.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    674°C

    Flash point

    • 289.6 ˚C est.

  • Synonyms

    • Erucyl erucate
    • 27640-89-7
    • UNII-12GCW2UZK6
    • 12GCW2UZK6
    • EINECS 248-587-4
    • 13-Docosenoic acid, 13-docosenyl ester
    • 13-Docosenyl 13-docosenoate
    • DTXSID901019807
    • 13-DOCOSEN-1-OL, 13-DOCOSENOATE, (Z,Z)-
    • 13-DOCOSENOIC ACID, (13Z)-13-DOCOSEN-1-YL ESTER, (13Z)-
    • RefChem:137669
    • ERUCYL ERUCATE [INCI]
    • DTXCID101477697
    • 248-587-4
    • [(Z)-docos-13-enyl] (Z)-docos-13-enoate
    • (Z)-Docos-13-enyl (Z)-docos-13-enoate
    • SCHEMBL18804064
    • BZUVPTAFNJMPEZ-CLFAGFIQSA-N
    • (13Z)-DOCOS-13-EN-1-YL (13Z)-DOCOS-13-ENOATE
    • (Z)-Docos-13-enyl(Z)-docos-13-enoate
    • NS00083987
    • (Z)-Docos-13-en-1-yl (Z)-docos-13-enoate
    • Q27251408
    • 27640-89-7

  • Applications

    Erucyl erucate (CAS 27640-89-7) is a long-chain wax ester widely used in cosmetics and personal care as a skin-conditioning emollient and lubricating agent, improving slip, spreadability, and a smooth feel in lotions, creams, lip balms, and hair-care formulations. It also functions as a vehicle and conditioning component in fragrance formulations, helping to solubilize and carry fragrance oils in perfumery. In industrial applications, it is used as a slip or processing aid in coatings, inks, and plastics formulations, contributing to surface lubricity and handling. It may also serve as a waxy additive to improve texture and gloss in targeted formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.72
    methanol 2.53
    isopropanol 3.1
    water 0.02
    ethyl acetate 61.35
    n-propanol 5.53
    acetone 25.77
    n-butanol 7.28
    acetonitrile 7.17
    DMF 37.85
    toluene 39.93
    isobutanol 6.26
    1,4-dioxane 59.25
    methyl acetate 32.05
    THF 169.09
    2-butanone 47.72
    n-pentanol 8.96
    sec-butanol 8.5
    n-hexane 13.49
    ethylene glycol 0.32
    NMP 245.09
    cyclohexane 49.99
    DMSO 48.94
    n-butyl acetate 76.06
    n-octanol 21.14
    chloroform 249.75
    n-propyl acetate 70.6
    acetic acid 13.12
    dichloromethane 244.78
    cyclohexanone 200.63
    propylene glycol 1.07
    isopropyl acetate 64.75
    DMAc 147.76
    2-ethoxyethanol 18.89
    isopentanol 10.88
    n-heptane 16.33
    ethyl formate 20.6
    1,2-dichloroethane 136.68
    n-hexanol 9.32
    2-methoxyethanol 13.42
    isobutyl acetate 51.49
    tetrachloromethane 66.44
    n-pentyl acetate 144.53
    transcutol 159.72
    n-heptanol 17.07
    ethylbenzene 37.66
    MIBK 54.28
    2-propoxyethanol 23.31
    tert-butanol 7.8
    MTBE 39.05
    2-butoxyethanol 44.88
    propionic acid 14.64
    o-xylene 42.41
    formic acid 2.58
    diethyl ether 27.44
    m-xylene 33.45
    p-xylene 49.1
    chlorobenzene 74.65
    dimethyl carbonate 21.68
    n-octane 9.77
    formamide 5.1
    cyclopentanone 186.04
    2-pentanone 53.49
    anisole 57.8
    cyclopentyl methyl ether 123.72
    gamma-butyrolactone 168.43
    1-methoxy-2-propanol 18.67
    pyridine 82.92
    3-pentanone 65.18
    furfural 112.96
    n-dodecane 4.74
    diethylene glycol 6.45
    diisopropyl ether 25.09
    tert-amyl alcohol 18.7
    acetylacetone 90.65
    n-hexadecane 5.92
    acetophenone 84.49
    methyl propionate 47.62
    isopentyl acetate 85.37
    trichloroethylene 264.08
    n-nonanol 25.56
    cyclohexanol 30.34
    benzyl alcohol 21.04
    2-ethylhexanol 20.41
    isooctanol 22.68
    dipropyl ether 62.73
    1,2-dichlorobenzene 112.27
    ethyl lactate 26.26
    propylene carbonate 112.99
    n-methylformamide 11.71
    2-pentanol 9.08
    n-pentane 6.7
    1-propoxy-2-propanol 35.25
    1-methoxy-2-propyl acetate 84.64
    2-(2-methoxypropoxy) propanol 61.6
    mesitylene 29.92
    ε-caprolactone 201.84
    p-cymene 34.72
    epichlorohydrin 176.6
    1,1,1-trichloroethane 204.01
    2-aminoethanol 1.49
    morpholine-4-carbaldehyde 106.38
    sulfolane 328.44
    2,2,4-trimethylpentane 13.0
    2-methyltetrahydrofuran 146.97
    n-hexyl acetate 133.22
    isooctane 5.56
    2-(2-butoxyethoxy)ethanol 62.64
    sec-butyl acetate 74.93
    tert-butyl acetate 106.71
    decalin 28.28
    glycerin 2.53
    diglyme 178.03
    acrylic acid 10.78
    isopropyl myristate 48.02
    n-butyric acid 36.81
    acetyl acetate 57.41
    di(2-ethylhexyl) phthalate 36.66
    ethyl propionate 77.54
    nitromethane 36.67
    1,2-diethoxyethane 106.81
    benzonitrile 33.26
    trioctyl phosphate 26.09
    1-bromopropane 82.34
    gamma-valerolactone 220.61
    n-decanol 15.51
    triethyl phosphate 76.35
    4-methyl-2-pentanol 9.76
    propionitrile 12.4
    vinylene carbonate 78.78
    1,1,2-trichlorotrifluoroethane 109.25
    DMS 65.52
    cumene 28.96
    2-octanol 19.87
    2-hexanone 66.06
    octyl acetate 52.28
    limonene 63.65
    1,2-dimethoxyethane 68.85
    ethyl orthosilicate 77.98
    tributyl phosphate 37.91
    diacetone alcohol 56.6
    N,N-dimethylaniline 55.48
    acrylonitrile 12.16
    aniline 24.01
    1,3-propanediol 3.53
    bromobenzene 107.89
    dibromomethane 149.74
    1,1,2,2-tetrachloroethane 294.68
    2-methyl-cyclohexyl acetate 111.98
    tetrabutyl urea 63.39
    diisobutyl methanol 21.07
    2-phenylethanol 21.39
    styrene 38.25
    dioctyl adipate 81.87
    dimethyl sulfate 65.57
    ethyl butyrate 106.43
    methyl lactate 18.3
    butyl lactate 72.74
    diethyl carbonate 60.27
    propanediol butyl ether 28.08
    triethyl orthoformate 108.05
    p-tert-butyltoluene 32.59
    methyl 4-tert-butylbenzoate 118.32
    morpholine 63.89
    tert-butylamine 7.39
    n-dodecanol 10.71
    dimethoxymethane 32.07
    ethylene carbonate 71.83
    cyrene 71.6
    2-ethoxyethyl acetate 145.8
    2-ethylhexyl acetate 90.17
    1,2,4-trichlorobenzene 146.09
    4-methylpyridine 80.03
    dibutyl ether 87.37
    2,6-dimethyl-4-heptanol 21.07
    DEF 83.92
    dimethyl isosorbide 179.0
    tetrachloroethylene 166.26
    eugenol 68.44
    triacetin 151.84
    span 80 56.71
    1,4-butanediol 2.19
    1,1-dichloroethane 105.87
    2-methyl-1-pentanol 16.0
    methyl formate 10.85
    2-methyl-1-butanol 12.08
    n-decane 12.26
    butyronitrile 15.64
    3,7-dimethyl-1-octanol 28.49
    1-chlorooctane 46.0
    1-chlorotetradecane 13.77
    n-nonane 11.58
    undecane 6.93
    tert-butylcyclohexane 18.49
    cyclooctane 21.93
    cyclopentanol 25.48
    tetrahydropyran 102.84
    tert-amyl methyl ether 61.69
    2,5,8-trioxanonane 99.47
    1-hexene 22.72
    2-isopropoxyethanol 20.01
    2,2,2-trifluoroethanol 9.79
    methyl butyrate 96.03

    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