Methyl 7-oxooctadecanoate

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  • Identifiers

    CAS number
    2380-22-5

    Molecular formula
    C19H36O3

    SMILES
    CCCCCCCCCCCC(=O)CCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 60.09%
    Waxy 49.8%
    Oily 46.73%
    Fruity 39.56%
    Creamy 31.81%
    Peach 31.15%
    Dairy 31.13%
    Lactonic 30.75%
    Milky 30.61%
    Buttery 30.08%

     

    Flavor
    Waxy 57.86%
    Fruity 48.62%
    Oily 46.74%
    Fatty 46.24%
    Soapy 37.96%
    Creamy 34.86%
    Floral 34.73%
    Coconut 32.54%
    Sweet 31.98%
    Fat 30.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.84 (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

    • 160.16 ˚C est.

  • Synonyms

    • Methyl 7-oxooctadecanoate
    • 2380-22-5
    • 7-Oxooctadecanoic Acid Methyl Ester
    • Octadecanoic acid,7-oxo-, methyl ester
    • METHYL7-OXOOCTADECANOATE
    • Methyl 7-ketooctadecanate
    • Methyl 7-Ketooctadecanoate; Methyl 7-Oxooctadecanoate;
    • Octadecanoic acid, 7-oxo-, methyl ester
    • Methyl 7-Ketooctadecanoate
    • Methyl 7-oxooctadecanoate #
    • Methyl 7-oxooctadecanoate,97%
    • SCHEMBL6415465
    • DTXSID80336879
    • QTHPCXRUUSTYCU-UHFFFAOYSA-N
    • MFCD00012195
    • 2380-22-5

  • Applications

    Methyl 7-oxooctadecanoate (CAS 2380-22-5) is a long-chain fatty acid methyl ester bearing a 7-oxo functionality, primarily used as a chemical intermediate in fragrance and aroma compound synthesis, providing a versatile building block for related esters; it is also considered as a precursor in cosmetics and personal care for conditioning ester derivatives and specialty esters; in the polymers and plastics sector it can serve as a starting material to access specialty polyesters or plasticizers; in coatings and inks it may act as a reactive ester intermediate for formulation and processing; and in general industrial manufacturing it is evaluated as a precursor for more complex esters and lubricant-related products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.66
    methanol 170.36
    isopropanol 115.16
    water 0.03
    ethyl acetate 379.4
    n-propanol 107.16
    acetone 359.9
    n-butanol 114.56
    acetonitrile 130.85
    DMF 379.2
    toluene 109.3
    isobutanol 97.43
    1,4-dioxane 491.65
    methyl acetate 215.0
    THF 948.29
    2-butanone 335.05
    n-pentanol 96.67
    sec-butanol 110.78
    n-hexane 9.5
    ethylene glycol 5.92
    NMP 574.82
    cyclohexane 54.31
    DMSO 568.44
    n-butyl acetate 285.75
    n-octanol 72.26
    chloroform 799.62
    n-propyl acetate 417.97
    acetic acid 151.64
    dichloromethane 872.56
    cyclohexanone 984.02
    propylene glycol 22.13
    isopropyl acetate 344.13
    DMAc 600.1
    2-ethoxyethanol 268.9
    isopentanol 145.45
    n-heptane 8.88
    ethyl formate 181.43
    1,2-dichloroethane 570.28
    n-hexanol 67.52
    2-methoxyethanol 317.86
    isobutyl acetate 240.57
    tetrachloromethane 107.01
    n-pentyl acetate 377.15
    transcutol 1325.03
    n-heptanol 62.05
    ethylbenzene 80.05
    MIBK 308.74
    2-propoxyethanol 205.15
    tert-butanol 205.41
    MTBE 247.27
    2-butoxyethanol 212.88
    propionic acid 114.89
    o-xylene 90.45
    formic acid 30.42
    diethyl ether 179.39
    m-xylene 83.15
    p-xylene 122.85
    chlorobenzene 217.39
    dimethyl carbonate 58.9
    n-octane 6.38
    formamide 72.93
    cyclopentanone 831.89
    2-pentanone 364.87
    anisole 209.22
    cyclopentyl methyl ether 381.12
    gamma-butyrolactone 739.37
    1-methoxy-2-propanol 279.54
    pyridine 451.11
    3-pentanone 221.07
    furfural 572.73
    n-dodecane 5.18
    diethylene glycol 91.18
    diisopropyl ether 66.68
    tert-amyl alcohol 182.77
    acetylacetone 539.42
    n-hexadecane 6.36
    acetophenone 272.1
    methyl propionate 208.89
    isopentyl acetate 291.12
    trichloroethylene 933.07
    n-nonanol 72.23
    cyclohexanol 217.97
    benzyl alcohol 148.52
    2-ethylhexanol 68.88
    isooctanol 70.77
    dipropyl ether 140.22
    1,2-dichlorobenzene 252.03
    ethyl lactate 116.48
    propylene carbonate 373.8
    n-methylformamide 143.34
    2-pentanol 81.15
    n-pentane 6.03
    1-propoxy-2-propanol 204.76
    1-methoxy-2-propyl acetate 298.7
    2-(2-methoxypropoxy) propanol 204.4
    mesitylene 63.13
    ε-caprolactone 783.38
    p-cymene 52.12
    epichlorohydrin 862.79
    1,1,1-trichloroethane 516.2
    2-aminoethanol 31.34
    morpholine-4-carbaldehyde 576.11
    sulfolane 898.1
    2,2,4-trimethylpentane 8.83
    2-methyltetrahydrofuran 603.6
    n-hexyl acetate 360.12
    isooctane 5.78
    2-(2-butoxyethoxy)ethanol 313.17
    sec-butyl acetate 280.02
    tert-butyl acetate 418.09
    decalin 24.3
    glycerin 39.14
    diglyme 799.72
    acrylic acid 70.35
    isopropyl myristate 97.66
    n-butyric acid 334.89
    acetyl acetate 246.51
    di(2-ethylhexyl) phthalate 87.91
    ethyl propionate 307.87
    nitromethane 449.99
    1,2-diethoxyethane 412.33
    benzonitrile 220.37
    trioctyl phosphate 59.42
    1-bromopropane 262.76
    gamma-valerolactone 1258.46
    n-decanol 45.19
    triethyl phosphate 121.22
    4-methyl-2-pentanol 67.91
    propionitrile 137.05
    vinylene carbonate 293.71
    1,1,2-trichlorotrifluoroethane 443.61
    DMS 182.32
    cumene 56.83
    2-octanol 59.43
    2-hexanone 348.62
    octyl acetate 121.74
    limonene 97.68
    1,2-dimethoxyethane 748.6
    ethyl orthosilicate 119.4
    tributyl phosphate 86.54
    diacetone alcohol 368.13
    N,N-dimethylaniline 133.41
    acrylonitrile 151.75
    aniline 122.67
    1,3-propanediol 87.56
    bromobenzene 242.73
    dibromomethane 496.44
    1,1,2,2-tetrachloroethane 871.36
    2-methyl-cyclohexyl acetate 222.52
    tetrabutyl urea 133.85
    diisobutyl methanol 56.6
    2-phenylethanol 117.37
    styrene 105.54
    dioctyl adipate 182.46
    dimethyl sulfate 133.17
    ethyl butyrate 274.7
    methyl lactate 83.34
    butyl lactate 215.11
    diethyl carbonate 146.98
    propanediol butyl ether 180.17
    triethyl orthoformate 196.42
    p-tert-butyltoluene 49.5
    methyl 4-tert-butylbenzoate 245.93
    morpholine 696.48
    tert-butylamine 103.66
    n-dodecanol 31.19
    dimethoxymethane 264.1
    ethylene carbonate 279.11
    cyrene 223.53
    2-ethoxyethyl acetate 442.37
    2-ethylhexyl acetate 224.23
    1,2,4-trichlorobenzene 282.7
    4-methylpyridine 414.71
    dibutyl ether 205.62
    2,6-dimethyl-4-heptanol 56.6
    DEF 455.28
    dimethyl isosorbide 440.55
    tetrachloroethylene 529.43
    eugenol 208.03
    triacetin 380.52
    span 80 196.8
    1,4-butanediol 33.98
    1,1-dichloroethane 454.84
    2-methyl-1-pentanol 117.66
    methyl formate 93.85
    2-methyl-1-butanol 115.45
    n-decane 11.58
    butyronitrile 194.82
    3,7-dimethyl-1-octanol 80.96
    1-chlorooctane 73.75
    1-chlorotetradecane 21.17
    n-nonane 10.27
    undecane 7.19
    tert-butylcyclohexane 18.0
    cyclooctane 10.24
    cyclopentanol 206.55
    tetrahydropyran 627.18
    tert-amyl methyl ether 189.84
    2,5,8-trioxanonane 426.76
    1-hexene 55.56
    2-isopropoxyethanol 202.39
    2,2,2-trifluoroethanol 56.18
    methyl butyrate 496.59

    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