Octadecanoic acid, 12-oxo-, methyl ester

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  • Identifiers

    CAS number
    2380-27-0

    Molecular formula
    C19H36O3

    SMILES
    CCCCCCC(=O)CCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.25%
    Waxy 51.28%
    Oily 47.82%
    Fruity 40.51%
    Creamy 32.29%
    Dairy 31.97%
    Peach 31.17%
    Milky 30.92%
    Lactonic 30.68%
    Buttery 29.87%

     

    Flavor
    Waxy 58.15%
    Fruity 47.56%
    Oily 46.89%
    Fatty 46.76%
    Soapy 38.23%
    Creamy 35.23%
    Floral 34.22%
    Coconut 33.1%
    Sweet 31.76%
    Fat 31.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.58 (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

    • 164.85 ˚C est.

  • Synonyms

    • 2380-27-0
    • Octadecanoic acid, 12-oxo-, methyl ester
    • DTXSID20178492
    • RefChem:1093754
    • DTXCID50100983
    • Methyl 12-oxooctadecanoate
    • Methyl 12-ketostearate
    • Methyl 12-oxostearate
    • MFCD00012224
    • 12-Oxo-octadecanoic Acid Methyl Ester
    • Methyl12-Ketostearate
    • 12-oxostearate methyl ester
    • SCHEMBL40101
    • Methyl 12-oxooctadecanoate #
    • METHYL12-OXOOCTADECANOATE
    • 12-Oxostearic acid, methyl ester
    • Methyl 12-oxooctadecanoate, 98%
    • ?12-oxo Stearic Acid methyl ester?
    • AKOS027320608
    • FM25372
    • HY-W011334
    • AS-58949
    • BP-29886
    • SY115857
    • DB-046250
    • F87463
    • 2380-27-0

  • Applications

    Octadecanoic acid, 12-oxo-, methyl ester (CAS 2380-27-0) is a specialized intermediate in organic synthesis, enabling access to keto-functional fatty ester derivatives; in perfumery and flavor chemistry it serves as a fragrance intermediate or precursor for more complex aroma compounds; in cosmetics and personal care it is evaluated as a building block for ester-based ingredients and modified lipids; in polymer and coatings chemistries it can function as a reactive modifier or plasticizer precursor for specialty polyesters and related polymers; in lubricant formulations it may act as a lubricant component or additive to tailor lubricity; and in coatings/inks it can be used as a feedstock for subsequent functionalization. Usage is subject to local regulations and product formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.16
    methanol 82.94
    isopropanol 72.26
    water 0.02
    ethyl acetate 376.51
    n-propanol 74.92
    acetone 271.56
    n-butanol 86.28
    acetonitrile 106.0
    DMF 464.99
    toluene 142.54
    isobutanol 76.18
    1,4-dioxane 403.38
    methyl acetate 233.99
    THF 927.97
    2-butanone 338.42
    n-pentanol 79.51
    sec-butanol 91.08
    n-hexane 14.2
    ethylene glycol 4.66
    NMP 896.89
    cyclohexane 72.62
    DMSO 610.48
    n-butyl acetate 340.46
    n-octanol 60.38
    chloroform 1034.77
    n-propyl acetate 428.26
    acetic acid 127.53
    dichloromethane 1127.11
    cyclohexanone 1079.1
    propylene glycol 16.64
    isopropyl acetate 335.69
    DMAc 803.07
    2-ethoxyethanol 220.7
    isopentanol 124.35
    n-heptane 9.98
    ethyl formate 164.42
    1,2-dichloroethane 766.89
    n-hexanol 65.06
    2-methoxyethanol 230.89
    isobutyl acetate 248.64
    tetrachloromethane 152.51
    n-pentyl acetate 383.05
    transcutol 1389.55
    n-heptanol 54.46
    ethylbenzene 102.73
    MIBK 331.77
    2-propoxyethanol 202.21
    tert-butanol 152.32
    MTBE 263.03
    2-butoxyethanol 197.76
    propionic acid 115.65
    o-xylene 122.44
    formic acid 26.51
    diethyl ether 195.97
    m-xylene 109.91
    p-xylene 146.2
    chlorobenzene 290.53
    dimethyl carbonate 74.38
    n-octane 5.59
    formamide 67.42
    cyclopentanone 976.87
    2-pentanone 382.28
    anisole 261.04
    cyclopentyl methyl ether 449.97
    gamma-butyrolactone 845.46
    1-methoxy-2-propanol 231.61
    pyridine 485.56
    3-pentanone 274.75
    furfural 694.67
    n-dodecane 4.02
    diethylene glycol 83.84
    diisopropyl ether 76.09
    tert-amyl alcohol 170.67
    acetylacetone 544.62
    n-hexadecane 5.15
    acetophenone 337.14
    methyl propionate 243.56
    isopentyl acetate 339.38
    trichloroethylene 1382.93
    n-nonanol 62.3
    cyclohexanol 213.7
    benzyl alcohol 158.41
    2-ethylhexanol 74.41
    isooctanol 62.3
    dipropyl ether 150.14
    1,2-dichlorobenzene 358.4
    ethyl lactate 124.46
    propylene carbonate 451.57
    n-methylformamide 149.03
    2-pentanol 72.66
    n-pentane 8.42
    1-propoxy-2-propanol 200.65
    1-methoxy-2-propyl acetate 355.03
    2-(2-methoxypropoxy) propanol 225.96
    mesitylene 77.93
    ε-caprolactone 840.66
    p-cymene 61.52
    epichlorohydrin 1014.69
    1,1,1-trichloroethane 697.92
    2-aminoethanol 23.96
    morpholine-4-carbaldehyde 698.17
    sulfolane 1318.53
    2,2,4-trimethylpentane 12.84
    2-methyltetrahydrofuran 661.43
    n-hexyl acetate 366.2
    isooctane 7.39
    2-(2-butoxyethoxy)ethanol 319.67
    sec-butyl acetate 306.11
    tert-butyl acetate 450.57
    decalin 31.93
    glycerin 35.27
    diglyme 820.02
    acrylic acid 82.31
    isopropyl myristate 102.39
    n-butyric acid 299.66
    acetyl acetate 246.07
    di(2-ethylhexyl) phthalate 95.88
    ethyl propionate 337.89
    nitromethane 412.05
    1,2-diethoxyethane 414.19
    benzonitrile 239.51
    trioctyl phosphate 61.02
    1-bromopropane 323.81
    gamma-valerolactone 1322.24
    n-decanol 38.06
    triethyl phosphate 153.43
    4-methyl-2-pentanol 64.59
    propionitrile 127.7
    vinylene carbonate 344.54
    1,1,2-trichlorotrifluoroethane 601.98
    DMS 219.66
    cumene 68.81
    2-octanol 51.76
    2-hexanone 355.45
    octyl acetate 127.38
    limonene 119.4
    1,2-dimethoxyethane 678.25
    ethyl orthosilicate 148.27
    tributyl phosphate 97.26
    diacetone alcohol 363.9
    N,N-dimethylaniline 170.69
    acrylonitrile 151.9
    aniline 154.48
    1,3-propanediol 61.66
    bromobenzene 350.4
    dibromomethane 644.54
    1,1,2,2-tetrachloroethane 1254.63
    2-methyl-cyclohexyl acetate 274.18
    tetrabutyl urea 150.87
    diisobutyl methanol 57.32
    2-phenylethanol 126.46
    styrene 134.31
    dioctyl adipate 200.43
    dimethyl sulfate 211.03
    ethyl butyrate 325.21
    methyl lactate 94.09
    butyl lactate 219.85
    diethyl carbonate 174.7
    propanediol butyl ether 164.5
    triethyl orthoformate 235.35
    p-tert-butyltoluene 57.61
    methyl 4-tert-butylbenzoate 276.35
    morpholine 617.89
    tert-butylamine 87.5
    n-dodecanol 25.38
    dimethoxymethane 266.88
    ethylene carbonate 309.52
    cyrene 250.44
    2-ethoxyethyl acetate 462.67
    2-ethylhexyl acetate 273.85
    1,2,4-trichlorobenzene 426.03
    4-methylpyridine 498.82
    dibutyl ether 193.6
    2,6-dimethyl-4-heptanol 57.32
    DEF 550.54
    dimethyl isosorbide 541.65
    tetrachloroethylene 742.03
    eugenol 225.88
    triacetin 421.51
    span 80 208.85
    1,4-butanediol 25.84
    1,1-dichloroethane 559.68
    2-methyl-1-pentanol 110.87
    methyl formate 99.77
    2-methyl-1-butanol 108.98
    n-decane 9.5
    butyronitrile 167.19
    3,7-dimethyl-1-octanol 76.71
    1-chlorooctane 70.49
    1-chlorotetradecane 19.49
    n-nonane 8.7
    undecane 5.7
    tert-butylcyclohexane 22.01
    cyclooctane 13.86
    cyclopentanol 195.82
    tetrahydropyran 582.21
    tert-amyl methyl ether 236.78
    2,5,8-trioxanonane 458.82
    1-hexene 67.86
    2-isopropoxyethanol 188.81
    2,2,2-trifluoroethanol 59.25
    methyl butyrate 524.87

    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