Methyl gadoleate

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  • Identifiers

    CAS number
    67810-35-9

    Molecular formula
    C21H40O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 76.37%
    Waxy 69.07%
    Oily 62.44%
    Sweet 31.48%
    Creamy 27.16%
    Fruity 26.54%
    Dairy 25.05%
    Odorless 23.41%
    Buttery 20.37%
    Milky 19.99%

     

    Flavor
    Waxy 44.7%
    Fatty 31.12%
    Faint 29.66%
    Oily 26.58%
    Mild 25.81%
    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.
    7.26 (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

    • 170.79 ˚C est.

  • Synonyms

    • methyl gadoleate
    • POU3PPS30J
    • Methyl eicosenoate
    • 67810-35-9
    • Eicosenoic acid, methyl ester, (Z)-
    • methyl (Z)-icos-9-enoate
    • DTXSID60880385
    • 9-Eicosenoic acid, methyl ester, (Z)-
    • 76899-35-9
    • RefChem:817754
    • DTXCID309048
    • Methyl 9-eicosenoate
    • METHYL (9Z)-ICOS-9-ENOATE
    • UNII-POU3PPS30J
    • SCHEMBL17747586
    • 9(Z)-EICOSENOIC ACID METHYL ESTER
    • Q27893787
    • 76899-35-9

  • Applications

    Methyl gadoleate (CAS 67810-35-9) is the methyl ester of gadoleic acid. In practical applications, it is commonly used as a non-polar oil or lubricant in cosmetics and personal care, providing slip and conditioning in skin and hair formulations. It also serves as a carrier solvent and a fixative component in perfumery/fragrance formulations. In coatings and inks, it can function as a plasticizer and processing aid to improve gloss, flexibility and adhesion. In polymers and plastics, it can act as a lubricant or softener during processing such as extrusion or molding. In adhesives, it is used as a plasticizer to modulate film formation and tack. In industrial manufacturing, it can serve as a non-polar solvent or lubricity additive for non-aqueous formulations and as an intermediate in chemical syntheses. These roles align with fatty acid methyl esters; actual use depends on local regulations and formulation design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.49
    methanol 51.03
    isopropanol 81.39
    water 0.01
    ethyl acetate 436.73
    n-propanol 85.71
    acetone 236.22
    n-butanol 121.0
    acetonitrile 75.79
    DMF 276.05
    toluene 151.41
    isobutanol 90.41
    1,4-dioxane 438.37
    methyl acetate 202.26
    THF 963.73
    2-butanone 331.73
    n-pentanol 95.64
    sec-butanol 120.03
    n-hexane 51.98
    ethylene glycol 2.79
    NMP 596.98
    cyclohexane 278.56
    DMSO 399.53
    n-butyl acetate 447.61
    n-octanol 96.15
    chloroform 912.44
    n-propyl acetate 508.41
    acetic acid 77.02
    dichloromethane 1034.92
    cyclohexanone 1021.17
    propylene glycol 12.34
    isopropyl acetate 425.27
    DMAc 574.8
    2-ethoxyethanol 193.83
    isopentanol 171.77
    n-heptane 52.27
    ethyl formate 133.44
    1,2-dichloroethane 739.15
    n-hexanol 94.37
    2-methoxyethanol 173.17
    isobutyl acetate 322.13
    tetrachloromethane 226.56
    n-pentyl acetate 571.57
    transcutol 1261.22
    n-heptanol 89.12
    ethylbenzene 132.06
    MIBK 408.55
    2-propoxyethanol 200.75
    tert-butanol 185.83
    MTBE 381.6
    2-butoxyethanol 231.43
    propionic acid 83.79
    o-xylene 146.98
    formic acid 11.11
    diethyl ether 338.63
    m-xylene 130.98
    p-xylene 185.34
    chlorobenzene 257.2
    dimethyl carbonate 64.99
    n-octane 23.66
    formamide 27.82
    cyclopentanone 810.18
    2-pentanone 438.09
    anisole 281.27
    cyclopentyl methyl ether 601.76
    gamma-butyrolactone 631.26
    1-methoxy-2-propanol 217.01
    pyridine 403.77
    3-pentanone 327.13
    furfural 436.94
    n-dodecane 12.2
    diethylene glycol 58.96
    diisopropyl ether 158.08
    tert-amyl alcohol 216.33
    acetylacetone 483.58
    n-hexadecane 15.38
    acetophenone 321.04
    methyl propionate 246.06
    isopentyl acetate 443.29
    trichloroethylene 1099.92
    n-nonanol 101.22
    cyclohexanol 277.51
    benzyl alcohol 131.55
    2-ethylhexanol 123.88
    isooctanol 108.22
    dipropyl ether 339.47
    1,2-dichlorobenzene 334.53
    ethyl lactate 124.41
    propylene carbonate 355.08
    n-methylformamide 75.34
    2-pentanol 121.18
    n-pentane 34.29
    1-propoxy-2-propanol 254.97
    1-methoxy-2-propyl acetate 402.8
    2-(2-methoxypropoxy) propanol 234.55
    mesitylene 113.58
    ε-caprolactone 799.01
    p-cymene 101.42
    epichlorohydrin 844.15
    1,1,1-trichloroethane 798.81
    2-aminoethanol 15.98
    morpholine-4-carbaldehyde 490.89
    sulfolane 973.92
    2,2,4-trimethylpentane 36.76
    2-methyltetrahydrofuran 820.61
    n-hexyl acetate 498.62
    isooctane 22.81
    2-(2-butoxyethoxy)ethanol 338.11
    sec-butyl acetate 413.84
    tert-butyl acetate 580.7
    decalin 82.43
    glycerin 21.27
    diglyme 851.2
    acrylic acid 49.92
    isopropyl myristate 158.04
    n-butyric acid 273.16
    acetyl acetate 232.13
    di(2-ethylhexyl) phthalate 110.7
    ethyl propionate 406.67
    nitromethane 219.84
    1,2-diethoxyethane 604.46
    benzonitrile 184.09
    trioctyl phosphate 82.12
    1-bromopropane 453.79
    gamma-valerolactone 983.82
    n-decanol 64.23
    triethyl phosphate 197.75
    4-methyl-2-pentanol 100.7
    propionitrile 115.35
    vinylene carbonate 245.35
    1,1,2-trichlorotrifluoroethane 437.21
    DMS 213.55
    cumene 98.7
    2-octanol 91.55
    2-hexanone 427.26
    octyl acetate 184.62
    limonene 214.85
    1,2-dimethoxyethane 622.54
    ethyl orthosilicate 211.89
    tributyl phosphate 116.77
    diacetone alcohol 397.58
    N,N-dimethylaniline 200.1
    acrylonitrile 96.78
    aniline 134.05
    1,3-propanediol 46.8
    bromobenzene 336.57
    dibromomethane 668.15
    1,1,2,2-tetrachloroethane 1159.53
    2-methyl-cyclohexyl acetate 362.65
    tetrabutyl urea 188.95
    diisobutyl methanol 107.68
    2-phenylethanol 123.73
    styrene 150.42
    dioctyl adipate 260.92
    dimethyl sulfate 156.78
    ethyl butyrate 465.34
    methyl lactate 77.19
    butyl lactate 263.63
    diethyl carbonate 218.03
    propanediol butyl ether 169.84
    triethyl orthoformate 348.39
    p-tert-butyltoluene 96.35
    methyl 4-tert-butylbenzoate 334.83
    morpholine 619.64
    tert-butylamine 136.44
    n-dodecanol 45.44
    dimethoxymethane 252.68
    ethylene carbonate 247.38
    cyrene 237.54
    2-ethoxyethyl acetate 559.74
    2-ethylhexyl acetate 384.26
    1,2,4-trichlorobenzene 382.44
    4-methylpyridine 408.82
    dibutyl ether 377.85
    2,6-dimethyl-4-heptanol 107.68
    DEF 529.58
    dimethyl isosorbide 568.25
    tetrachloroethylene 687.97
    eugenol 233.03
    triacetin 467.16
    span 80 234.14
    1,4-butanediol 20.4
    1,1-dichloroethane 596.19
    2-methyl-1-pentanol 140.12
    methyl formate 52.07
    2-methyl-1-butanol 145.65
    n-decane 30.54
    butyronitrile 183.68
    3,7-dimethyl-1-octanol 126.61
    1-chlorooctane 146.64
    1-chlorotetradecane 41.89
    n-nonane 30.89
    undecane 17.68
    tert-butylcyclohexane 55.29
    cyclooctane 59.52
    cyclopentanol 218.43
    tetrahydropyran 808.14
    tert-amyl methyl ether 357.28
    2,5,8-trioxanonane 466.04
    1-hexene 132.14
    2-isopropoxyethanol 196.21
    2,2,2-trifluoroethanol 33.91
    methyl butyrate 572.19

    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