Methyl 5-oxooctadecanoate

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  • Identifiers

    CAS number
    2380-20-3

    Molecular formula
    C19H36O3

    SMILES
    CCCCCCCCCCCCCC(=O)CCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 66.29%
    Waxy 55.38%
    Oily 47.52%
    Creamy 34.57%
    Dairy 32.66%
    Milky 32.15%
    Buttery 32.15%
    Fruity 31.45%
    Peach 29.61%
    Lactonic 28.28%

     

    Flavor
    Waxy 58.77%
    Fatty 48.62%
    Oily 47.48%
    Fruity 44.94%
    Soapy 38.57%
    Creamy 36.47%
    Coconut 34.28%
    Sweet 31.97%
    Mild 31.96%
    Floral 31.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    7.53 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Flash point

    • 164.07 ˚C est.

  • Synonyms

    • Methyl 5-oxooctadecanoate
    • 2380-20-3
    • methyl 5-oxostearate
    • Methyl 5-oxo-octadecanoate
    • Methyl 5-oxooctadecanoate,99%
    • SCHEMBL8728909
    • Methyl 5-oxooctadecanoate, 99%
    • DTXSID80392910
    • BVRPGVKJUHZXTH-UHFFFAOYSA-N
    • AKOS015894366
    • 2380-20-3

  • Applications

    Methyl 5-oxooctadecanoate (CAS 2380-20-3) is an intermediate used in the synthesis of long-chain esters for fragrance and cosmetics, where it may serve as a backbone component for fragrance compounds and related personal-care ingredients. It can also function as a building block for the preparation of ketone-containing intermediates used in polymers and coatings, including as a plasticizer or processing additive in formulations. The compound is commonly evaluated as a synthetic building block in broader chemical manufacturing and may be considered for agrochemical or pharmaceutical precursor applications, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.02
    methanol 101.91
    isopropanol 72.2
    water 0.04
    ethyl acetate 421.26
    n-propanol 80.49
    acetone 337.41
    n-butanol 87.57
    acetonitrile 140.44
    DMF 701.19
    toluene 143.28
    isobutanol 82.97
    1,4-dioxane 400.4
    methyl acetate 276.52
    THF 949.16
    2-butanone 396.27
    n-pentanol 77.23
    sec-butanol 96.37
    n-hexane 14.45
    ethylene glycol 6.18
    NMP 1319.2
    cyclohexane 64.3
    DMSO 815.93
    n-butyl acetate 353.03
    n-octanol 60.83
    chloroform 1109.24
    n-propyl acetate 483.77
    acetic acid 200.49
    dichloromethane 1215.34
    cyclohexanone 1162.7
    propylene glycol 20.99
    isopropyl acetate 374.6
    DMAc 1055.66
    2-ethoxyethanol 245.11
    isopentanol 123.14
    n-heptane 10.3
    ethyl formate 198.43
    1,2-dichloroethane 766.37
    n-hexanol 60.99
    2-methoxyethanol 276.43
    isobutyl acetate 278.16
    tetrachloromethane 174.96
    n-pentyl acetate 432.66
    transcutol 1505.75
    n-heptanol 57.36
    ethylbenzene 104.35
    MIBK 346.27
    2-propoxyethanol 203.9
    tert-butanol 160.3
    MTBE 271.33
    2-butoxyethanol 206.59
    propionic acid 170.03
    o-xylene 132.9
    formic acid 46.27
    diethyl ether 200.87
    m-xylene 115.99
    p-xylene 146.46
    chlorobenzene 311.16
    dimethyl carbonate 110.06
    n-octane 5.69
    formamide 116.4
    cyclopentanone 1194.7
    2-pentanone 413.21
    anisole 270.74
    cyclopentyl methyl ether 496.0
    gamma-butyrolactone 1161.17
    1-methoxy-2-propanol 279.14
    pyridine 522.9
    3-pentanone 331.88
    furfural 868.72
    n-dodecane 3.94
    diethylene glycol 92.33
    diisopropyl ether 82.93
    tert-amyl alcohol 188.45
    acetylacetone 653.96
    n-hexadecane 5.03
    acetophenone 390.86
    methyl propionate 318.86
    isopentyl acetate 356.08
    trichloroethylene 1553.14
    n-nonanol 62.85
    cyclohexanol 227.17
    benzyl alcohol 170.12
    2-ethylhexanol 71.83
    isooctanol 66.14
    dipropyl ether 158.44
    1,2-dichlorobenzene 390.67
    ethyl lactate 154.19
    propylene carbonate 600.51
    n-methylformamide 228.57
    2-pentanol 75.03
    n-pentane 9.01
    1-propoxy-2-propanol 211.8
    1-methoxy-2-propyl acetate 404.07
    2-(2-methoxypropoxy) propanol 241.27
    mesitylene 82.92
    ε-caprolactone 982.01
    p-cymene 63.67
    epichlorohydrin 1123.47
    1,1,1-trichloroethane 736.28
    2-aminoethanol 30.02
    morpholine-4-carbaldehyde 935.59
    sulfolane 1909.9
    2,2,4-trimethylpentane 14.08
    2-methyltetrahydrofuran 655.54
    n-hexyl acetate 403.4
    isooctane 7.58
    2-(2-butoxyethoxy)ethanol 328.26
    sec-butyl acetate 338.0
    tert-butyl acetate 517.25
    decalin 31.55
    glycerin 48.06
    diglyme 885.18
    acrylic acid 129.61
    isopropyl myristate 107.36
    n-butyric acid 373.62
    acetyl acetate 301.83
    di(2-ethylhexyl) phthalate 105.87
    ethyl propionate 382.48
    nitromethane 649.28
    1,2-diethoxyethane 429.43
    benzonitrile 262.62
    trioctyl phosphate 67.08
    1-bromopropane 313.83
    gamma-valerolactone 1608.96
    n-decanol 37.71
    triethyl phosphate 177.38
    4-methyl-2-pentanol 63.91
    propionitrile 148.27
    vinylene carbonate 472.34
    1,1,2-trichlorotrifluoroethane 780.25
    DMS 291.65
    cumene 70.7
    2-octanol 53.95
    2-hexanone 369.24
    octyl acetate 135.83
    limonene 123.85
    1,2-dimethoxyethane 686.11
    ethyl orthosilicate 165.85
    tributyl phosphate 109.4
    diacetone alcohol 420.52
    N,N-dimethylaniline 190.11
    acrylonitrile 195.64
    aniline 171.14
    1,3-propanediol 71.18
    bromobenzene 366.63
    dibromomethane 657.76
    1,1,2,2-tetrachloroethane 1336.57
    2-methyl-cyclohexyl acetate 295.38
    tetrabutyl urea 166.08
    diisobutyl methanol 56.54
    2-phenylethanol 128.0
    styrene 138.83
    dioctyl adipate 220.95
    dimethyl sulfate 335.63
    ethyl butyrate 361.07
    methyl lactate 138.01
    butyl lactate 259.92
    diethyl carbonate 198.93
    propanediol butyl ether 181.87
    triethyl orthoformate 264.61
    p-tert-butyltoluene 58.95
    methyl 4-tert-butylbenzoate 332.31
    morpholine 617.22
    tert-butylamine 90.8
    n-dodecanol 25.47
    dimethoxymethane 336.33
    ethylene carbonate 405.51
    cyrene 288.08
    2-ethoxyethyl acetate 537.93
    2-ethylhexyl acetate 286.92
    1,2,4-trichlorobenzene 481.54
    4-methylpyridine 542.42
    dibutyl ether 191.43
    2,6-dimethyl-4-heptanol 56.54
    DEF 671.63
    dimethyl isosorbide 604.35
    tetrachloroethylene 828.47
    eugenol 252.53
    triacetin 540.06
    span 80 227.45
    1,4-butanediol 29.68
    1,1-dichloroethane 564.0
    2-methyl-1-pentanol 106.35
    methyl formate 151.28
    2-methyl-1-butanol 114.2
    n-decane 9.71
    butyronitrile 175.42
    3,7-dimethyl-1-octanol 76.67
    1-chlorooctane 71.57
    1-chlorotetradecane 19.46
    n-nonane 9.04
    undecane 5.7
    tert-butylcyclohexane 22.44
    cyclooctane 13.86
    cyclopentanol 220.58
    tetrahydropyran 540.93
    tert-amyl methyl ether 255.31
    2,5,8-trioxanonane 490.04
    1-hexene 65.64
    2-isopropoxyethanol 207.0
    2,2,2-trifluoroethanol 101.85
    methyl butyrate 590.03

    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