Decenoic acid, 5-oxo-, methyl ester

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  • Identifiers

    CAS number
    72361-36-5

    Molecular formula
    C11H18O3

    SMILES
    CCCCCC(=O)C/C=C/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.85%
    Green 55.6%
    Caramellic 40.46%
    Fatty 38.34%
    Pineapple 37.95%
    Sweet 37.61%
    Waxy 37.46%
    Tropical 35.09%
    Mushroom 34.37%
    Metallic 34.22%

     

    Flavor
    Fruity 64.81%
    Cheese 31.02%
    Mushroom 26.16%
    Oily 25.94%
    Fatty 25.26%
    Tropical 24.71%
    Sweet 22.96%
    Caramel 22.48%
    Berry 22.0%
    Pineapple 21.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.33 (weak base)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 120.29 ˚C est.

  • Synonyms

    • 72361-36-5
    • Decenoic acid, 5-oxo-, methyl ester
    • EINECS 276-595-8
    • RefChem:131288
    • Methyl 5-oxodecenoate
    • LZZLATQXZPEVKD-RMKNXTFCSA-N
    • 72361-36-5

  • Applications

    Decenoic acid, 5-oxo-, methyl ester (CAS 72361-36-5) is primarily used as an advanced intermediate in organic synthesis, serving as a building block for specialty esters and heterocyclic compounds. In fragrance and cosmetics, it may be employed as a fragrance-related intermediate or odorant precursor for composition development. In industrial manufacturing, it provides a reactive ester functionality that can be utilized in the synthesis of customized monomers and crosslinking agents for polymers and coatings. In polymers and plastics, it can act as a monomer or functionalized building block for specialty polyesters and related materials. In coatings and inks, it may be explored as a reactive additive or precursor for formulation tuning. Usage is typically determined by purity, regulatory compliance, and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 893.75
    methanol 1525.8
    isopropanol 496.37
    water 0.34
    ethyl acetate 779.17
    n-propanol 492.82
    acetone 1891.45
    n-butanol 413.77
    acetonitrile 869.09
    DMF 2579.92
    toluene 204.47
    isobutanol 317.19
    1,4-dioxane 815.81
    methyl acetate 652.01
    THF 1596.75
    2-butanone 910.25
    n-pentanol 308.8
    sec-butanol 345.75
    n-hexane 15.26
    ethylene glycol 158.45
    NMP 2109.44
    cyclohexane 20.03
    DMSO 4002.12
    n-butyl acetate 425.87
    n-octanol 66.86
    chloroform 1227.44
    n-propyl acetate 440.05
    acetic acid 1464.59
    dichloromethane 1441.27
    cyclohexanone 1265.95
    propylene glycol 247.14
    isopropyl acetate 414.03
    DMAc 1552.62
    2-ethoxyethanol 646.74
    isopentanol 357.75
    n-heptane 4.31
    ethyl formate 389.87
    1,2-dichloroethane 1100.16
    n-hexanol 193.69
    2-methoxyethanol 1243.65
    isobutyl acetate 254.7
    tetrachloromethane 101.32
    n-pentyl acetate 186.18
    transcutol 3018.01
    n-heptanol 62.64
    ethylbenzene 111.81
    MIBK 392.91
    2-propoxyethanol 474.86
    tert-butanol 621.07
    MTBE 429.42
    2-butoxyethanol 216.86
    propionic acid 650.83
    o-xylene 142.12
    formic acid 526.9
    diethyl ether 464.24
    m-xylene 154.94
    p-xylene 144.01
    chlorobenzene 399.76
    dimethyl carbonate 255.57
    n-octane 2.09
    formamide 1005.52
    cyclopentanone 1693.87
    2-pentanone 743.78
    anisole 359.76
    cyclopentyl methyl ether 622.17
    gamma-butyrolactone 1905.35
    1-methoxy-2-propanol 825.19
    pyridine 872.78
    3-pentanone 441.19
    furfural 1311.87
    n-dodecane 2.4
    diethylene glycol 444.5
    diisopropyl ether 89.64
    tert-amyl alcohol 456.52
    acetylacetone 998.83
    n-hexadecane 2.94
    acetophenone 406.11
    methyl propionate 605.62
    isopentyl acetate 356.81
    trichloroethylene 2239.24
    n-nonanol 60.39
    cyclohexanol 374.77
    benzyl alcohol 318.3
    2-ethylhexanol 109.32
    isooctanol 57.41
    dipropyl ether 117.57
    1,2-dichlorobenzene 390.07
    ethyl lactate 197.27
    propylene carbonate 736.78
    n-methylformamide 1079.13
    2-pentanol 244.54
    n-pentane 8.99
    1-propoxy-2-propanol 318.81
    1-methoxy-2-propyl acetate 461.45
    2-(2-methoxypropoxy) propanol 347.73
    mesitylene 86.98
    ε-caprolactone 966.11
    p-cymene 55.38
    epichlorohydrin 1783.29
    1,1,1-trichloroethane 667.23
    2-aminoethanol 385.77
    morpholine-4-carbaldehyde 1369.13
    sulfolane 2499.33
    2,2,4-trimethylpentane 11.62
    2-methyltetrahydrofuran 1053.76
    n-hexyl acetate 268.46
    isooctane 8.42
    2-(2-butoxyethoxy)ethanol 477.86
    sec-butyl acetate 284.02
    tert-butyl acetate 489.06
    decalin 19.45
    glycerin 388.45
    diglyme 946.44
    acrylic acid 641.68
    isopropyl myristate 83.54
    n-butyric acid 797.92
    acetyl acetate 505.23
    di(2-ethylhexyl) phthalate 117.98
    ethyl propionate 369.33
    nitromethane 2649.11
    1,2-diethoxyethane 477.64
    benzonitrile 421.01
    trioctyl phosphate 67.82
    1-bromopropane 389.43
    gamma-valerolactone 1699.63
    n-decanol 41.72
    triethyl phosphate 132.47
    4-methyl-2-pentanol 132.28
    propionitrile 434.26
    vinylene carbonate 634.07
    1,1,2-trichlorotrifluoroethane 1171.54
    DMS 338.47
    cumene 71.92
    2-octanol 43.28
    2-hexanone 474.16
    octyl acetate 111.21
    limonene 90.96
    1,2-dimethoxyethane 946.85
    ethyl orthosilicate 121.15
    tributyl phosphate 112.23
    diacetone alcohol 598.24
    N,N-dimethylaniline 219.45
    acrylonitrile 656.23
    aniline 416.54
    1,3-propanediol 498.52
    bromobenzene 397.45
    dibromomethane 811.93
    1,1,2,2-tetrachloroethane 1580.33
    2-methyl-cyclohexyl acetate 227.53
    tetrabutyl urea 146.4
    diisobutyl methanol 64.09
    2-phenylethanol 232.36
    styrene 171.24
    dioctyl adipate 185.63
    dimethyl sulfate 605.75
    ethyl butyrate 261.53
    methyl lactate 322.4
    butyl lactate 202.45
    diethyl carbonate 189.27
    propanediol butyl ether 305.59
    triethyl orthoformate 170.67
    p-tert-butyltoluene 54.21
    methyl 4-tert-butylbenzoate 249.63
    morpholine 1271.04
    tert-butylamine 294.35
    n-dodecanol 29.63
    dimethoxymethane 833.67
    ethylene carbonate 476.25
    cyrene 381.48
    2-ethoxyethyl acetate 367.29
    2-ethylhexyl acetate 250.36
    1,2,4-trichlorobenzene 510.73
    4-methylpyridine 916.32
    dibutyl ether 116.44
    2,6-dimethyl-4-heptanol 64.09
    DEF 935.89
    dimethyl isosorbide 585.1
    tetrachloroethylene 830.18
    eugenol 255.84
    triacetin 384.71
    span 80 270.01
    1,4-butanediol 187.53
    1,1-dichloroethane 867.17
    2-methyl-1-pentanol 285.98
    methyl formate 651.28
    2-methyl-1-butanol 323.71
    n-decane 4.07
    butyronitrile 454.58
    3,7-dimethyl-1-octanol 93.48
    1-chlorooctane 38.8
    1-chlorotetradecane 13.86
    n-nonane 3.59
    undecane 3.01
    tert-butylcyclohexane 17.43
    cyclooctane 5.23
    cyclopentanol 459.57
    tetrahydropyran 768.22
    tert-amyl methyl ether 312.53
    2,5,8-trioxanonane 624.01
    1-hexene 109.05
    2-isopropoxyethanol 399.95
    2,2,2-trifluoroethanol 345.76
    methyl butyrate 542.59

    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