Methyl nonadecan-1-oate

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  • Identifiers

    CAS number
    1731-94-8

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.82%
    Fatty 70.91%
    Oily 58.02%
    Sweet 32.02%
    Creamy 30.7%
    Odorless 28.82%
    Dairy 24.41%
    Soapy 20.3%
    Milky 19.6%
    Clean 19.57%

     

    Flavor
    Waxy 67.96%
    Fatty 46.91%
    Oily 42.15%
    Mild 41.26%
    Fat 34.28%
    Soapy 32.88%
    Coconut 32.76%
    Alkane 31.65%
    Bland 30.13%
    Faint 28.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    7.67 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    372°C

    Flash point

    • 163.52 ˚C est.

  • Synonyms

    • METHYL NONADECANOATE
    • 1731-94-8
    • Nonadecanoic acid, methyl ester
    • Methyl nonadecan-1-oate
    • Nonadecanoic acid methyl ester
    • n-Nonadecanoic acid methyl ester
    • 67FQ8VV2L3
    • EINECS 217-056-9
    • AI3-36454
    • CHEBI:87758
    • DTXSID40169524
    • Methyl nonadecan1oate
    • RefChem:817983
    • DTXCID2092015
    • 217-056-9
    • MFCD00009011
    • Nonadecanoic acid-methyl ester
    • methylnonadecanoate
    • Methyl Nonadecanoate (>99.5%)
    • UNII-67FQ8VV2L3
    • SCHEMBL109331
    • orb1299250
    • orb3025337
    • SCHEMBL2256231
    • MSK1818
    • BAA73194
    • Methyl nonadecanoate, >=98% (GC)
    • s5833
    • AKOS015903908
    • CS-W004262
    • EBC-617517
    • HY-W004262
    • Methyl nonadecanoate, analytical standard
    • SY051778
    • DB-043929
    • N0460
    • NS00025677
    • H10860
    • Methyl nonadecanoate, puriss., >=98.5% (GC)
    • F533395
    • Q27159902
    • A25CCD7A-EA11-4124-B88C-A168A5582F47
    • 1731-94-8

  • Applications

    Methyl nonadecan-1-oate (1731-94-8) is a long-chain fatty acid ester commonly used as an emollient and softening agent in cosmetics and personal care, and can serve as a carrier component in formulations for creams and hair products. In coatings and inks, it can function as a wax-like plasticizer or softener to improve processability and film properties. In the polymers/plastics sector, it can act as a plasticizer or processing aid to enhance flexibility and processability of polymers. In industrial manufacturing, it is used as a lubricant or processing aid to facilitate material handling and formulation stability. In perfumery, it may be used as a fragrance ingredient and/or fixative to extend scent longevity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.79
    methanol 25.67
    isopropanol 40.64
    water 0.01
    ethyl acetate 379.65
    n-propanol 42.15
    acetone 165.95
    n-butanol 58.76
    acetonitrile 73.22
    DMF 308.78
    toluene 134.18
    isobutanol 54.95
    1,4-dioxane 354.26
    methyl acetate 196.35
    THF 870.27
    2-butanone 274.99
    n-pentanol 52.07
    sec-butanol 67.68
    n-hexane 38.74
    ethylene glycol 2.12
    NMP 817.14
    cyclohexane 229.27
    DMSO 331.82
    n-butyl acetate 443.47
    n-octanol 86.66
    chloroform 1049.99
    n-propyl acetate 495.88
    acetic acid 71.72
    dichloromethane 1096.4
    cyclohexanone 1033.59
    propylene glycol 8.26
    isopropyl acetate 391.46
    DMAc 558.0
    2-ethoxyethanol 129.81
    isopentanol 96.0
    n-heptane 49.02
    ethyl formate 136.52
    1,2-dichloroethane 719.83
    n-hexanol 58.54
    2-methoxyethanol 120.43
    isobutyl acetate 313.35
    tetrachloromethane 272.73
    n-pentyl acetate 647.45
    transcutol 897.88
    n-heptanol 72.0
    ethylbenzene 116.44
    MIBK 357.89
    2-propoxyethanol 143.27
    tert-butanol 118.33
    MTBE 273.76
    2-butoxyethanol 212.33
    propionic acid 84.55
    o-xylene 138.9
    formic acid 10.48
    diethyl ether 197.41
    m-xylene 118.59
    p-xylene 180.55
    chlorobenzene 286.71
    dimethyl carbonate 72.09
    n-octane 23.17
    formamide 28.48
    cyclopentanone 902.89
    2-pentanone 344.65
    anisole 258.74
    cyclopentyl methyl ether 542.94
    gamma-butyrolactone 801.26
    1-methoxy-2-propanol 162.58
    pyridine 411.23
    3-pentanone 300.87
    furfural 559.57
    n-dodecane 11.75
    diethylene glycol 43.94
    diisopropyl ether 130.68
    tert-amyl alcohol 149.38
    acetylacetone 476.52
    n-hexadecane 15.32
    acetophenone 344.76
    methyl propionate 237.67
    isopentyl acetate 448.9
    trichloroethylene 1227.5
    n-nonanol 93.79
    cyclohexanol 212.64
    benzyl alcohol 123.45
    2-ethylhexanol 100.44
    isooctanol 92.16
    dipropyl ether 300.12
    1,2-dichlorobenzene 413.97
    ethyl lactate 129.87
    propylene carbonate 478.65
    n-methylformamide 84.55
    2-pentanol 67.41
    n-pentane 22.25
    1-propoxy-2-propanol 205.67
    1-methoxy-2-propyl acetate 388.59
    2-(2-methoxypropoxy) propanol 214.07
    mesitylene 109.78
    ε-caprolactone 843.74
    p-cymene 110.09
    epichlorohydrin 868.27
    1,1,1-trichloroethane 907.94
    2-aminoethanol 10.79
    morpholine-4-carbaldehyde 575.57
    sulfolane 1365.62
    2,2,4-trimethylpentane 30.15
    2-methyltetrahydrofuran 688.71
    n-hexyl acetate 530.59
    isooctane 18.8
    2-(2-butoxyethoxy)ethanol 284.35
    sec-butyl acetate 403.75
    tert-butyl acetate 569.55
    decalin 75.07
    glycerin 17.46
    diglyme 775.32
    acrylic acid 55.96
    isopropyl myristate 172.23
    n-butyric acid 244.52
    acetyl acetate 257.48
    di(2-ethylhexyl) phthalate 113.2
    ethyl propionate 427.9
    nitromethane 237.24
    1,2-diethoxyethane 494.74
    benzonitrile 208.09
    trioctyl phosphate 88.61
    1-bromopropane 394.86
    gamma-valerolactone 1124.26
    n-decanol 57.03
    triethyl phosphate 235.87
    4-methyl-2-pentanol 65.4
    propionitrile 101.97
    vinylene carbonate 341.12
    1,1,2-trichlorotrifluoroethane 502.29
    DMS 256.03
    cumene 91.02
    2-octanol 85.7
    2-hexanone 369.17
    octyl acetate 197.19
    limonene 225.64
    1,2-dimethoxyethane 558.16
    ethyl orthosilicate 235.85
    tributyl phosphate 130.94
    diacetone alcohol 355.81
    N,N-dimethylaniline 192.52
    acrylonitrile 105.24
    aniline 126.85
    1,3-propanediol 30.03
    bromobenzene 379.84
    dibromomethane 679.17
    1,1,2,2-tetrachloroethane 1330.09
    2-methyl-cyclohexyl acetate 391.55
    tetrabutyl urea 211.15
    diisobutyl methanol 99.4
    2-phenylethanol 114.87
    styrene 139.38
    dioctyl adipate 286.26
    dimethyl sulfate 201.79
    ethyl butyrate 519.72
    methyl lactate 81.17
    butyl lactate 288.29
    diethyl carbonate 257.85
    propanediol butyl ether 147.22
    triethyl orthoformate 398.18
    p-tert-butyltoluene 103.94
    methyl 4-tert-butylbenzoate 373.84
    morpholine 465.27
    tert-butylamine 90.21
    n-dodecanol 40.65
    dimethoxymethane 205.2
    ethylene carbonate 328.38
    cyrene 251.02
    2-ethoxyethyl acetate 558.12
    2-ethylhexyl acetate 408.02
    1,2,4-trichlorobenzene 482.31
    4-methylpyridine 411.56
    dibutyl ether 368.68
    2,6-dimethyl-4-heptanol 99.4
    DEF 511.33
    dimethyl isosorbide 601.07
    tetrachloroethylene 774.11
    eugenol 247.34
    triacetin 516.34
    span 80 215.46
    1,4-butanediol 14.23
    1,1-dichloroethane 575.7
    2-methyl-1-pentanol 86.79
    methyl formate 64.01
    2-methyl-1-butanol 83.2
    n-decane 30.01
    butyronitrile 144.32
    3,7-dimethyl-1-octanol 113.26
    1-chlorooctane 158.37
    1-chlorotetradecane 44.38
    n-nonane 29.98
    undecane 17.1
    tert-butylcyclohexane 52.4
    cyclooctane 53.07
    cyclopentanol 193.38
    tetrahydropyran 589.61
    tert-amyl methyl ether 280.91
    2,5,8-trioxanonane 419.99
    1-hexene 90.49
    2-isopropoxyethanol 141.43
    2,2,2-trifluoroethanol 43.23
    methyl butyrate 601.1

    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