Mosinone A

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  • Identifiers

    CAS number
    191800-47-2

    Molecular formula
    C37H64O7

    SMILES
    CCCCCCCCCC/C=C\CC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCC(=O)CCCC[C@@H]2CC(C(=O)O2)CC(=O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Lactonic 34.8%
    Peach 33.87%
    Oily 32.26%
    Fatty 28.49%
    Milky 27.85%
    Fresh 27.8%
    Waxy 27.67%
    Fruity 27.63%
    Jasmin 26.29%
    Odorless 26.22%

     

    Flavor
    Oily 33.68%
    Waxy 32.31%
    Floral 31.37%
    Herbal 31.15%
    Fatty 31.05%
    Mild 27.45%
    Fresh 25.89%
    Green 24.85%
    Bland 21.89%
    Fruity 21.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    8.62 (weak base)

    Molecular weight
    620.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1244°C

    Flash point

    • 249.94 ˚C est.

  • Synonyms

    • Mosinone A
    • DTXSID301100224
    • RefChem:159823
    • DTXCID001531939
    • 5-(11-hydroxy-11-(5-((Z)-1-hydroxypentadec-4-enyl)oxolan-2-yl)-5-oxoundecyl)-3-(2-oxopropyl)oxolan-2-one
    • CHEMBL453679
    • 191800-47-2
    • 191800-47-2

  • Applications

    Mosinone A (CAS 191800-47-2) is typically used as a specialty intermediate in organic synthesis, serving as a building block for SAR studies and the development of complex molecules in pharmaceutical and agrochemical research. It is commonly evaluated as a molecular framework for synthetic routes and may be considered for fragrance and cosmetics research as a potential source of novel scent notes. Additionally, it is studied for applications in coatings and inks where functional terpenoid-like frameworks are of interest. Its use is generally limited to research and development settings and is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.9
    methanol 10.35
    isopropanol 3.37
    water 0.04
    ethyl acetate 11.28
    n-propanol 8.41
    acetone 15.79
    n-butanol 7.43
    acetonitrile 4.64
    DMF 26.62
    toluene 6.45
    isobutanol 5.06
    1,4-dioxane 28.61
    methyl acetate 9.98
    THF 80.91
    2-butanone 20.08
    n-pentanol 8.78
    sec-butanol 5.78
    n-hexane 0.54
    ethylene glycol 0.9
    NMP 97.37
    cyclohexane 0.91
    DMSO 40.66
    n-butyl acetate 10.73
    n-octanol 10.43
    chloroform 56.11
    n-propyl acetate 11.85
    acetic acid 22.98
    dichloromethane 52.39
    cyclohexanone 56.13
    propylene glycol 2.35
    isopropyl acetate 10.34
    DMAc 88.97
    2-ethoxyethanol 25.05
    isopentanol 6.41
    n-heptane 0.5
    ethyl formate 10.38
    1,2-dichloroethane 22.57
    n-hexanol 5.93
    2-methoxyethanol 22.96
    isobutyl acetate 8.72
    tetrachloromethane 6.61
    n-pentyl acetate 25.63
    transcutol 111.88
    n-heptanol 9.06
    ethylbenzene 5.51
    MIBK 12.02
    2-propoxyethanol 25.23
    tert-butanol 4.1
    MTBE 7.21
    2-butoxyethanol 33.1
    propionic acid 11.2
    o-xylene 5.92
    formic acid 9.5
    diethyl ether 6.22
    m-xylene 4.85
    p-xylene 6.26
    chlorobenzene 12.19
    dimethyl carbonate 8.42
    n-octane 0.41
    formamide 11.51
    cyclopentanone 59.19
    2-pentanone 16.4
    anisole 13.76
    cyclopentyl methyl ether 22.88
    gamma-butyrolactone 60.65
    1-methoxy-2-propanol 19.54
    pyridine 28.45
    3-pentanone 15.01
    furfural 51.85
    n-dodecane 0.37
    diethylene glycol 9.84
    diisopropyl ether 2.09
    tert-amyl alcohol 6.87
    acetylacetone 24.04
    n-hexadecane 0.43
    acetophenone 20.74
    methyl propionate 12.69
    isopentyl acetate 12.33
    trichloroethylene 59.46
    n-nonanol 11.44
    cyclohexanol 10.18
    benzyl alcohol 13.02
    2-ethylhexanol 4.95
    isooctanol 7.67
    dipropyl ether 6.59
    1,2-dichlorobenzene 15.36
    ethyl lactate 10.37
    propylene carbonate 28.59
    n-methylformamide 13.11
    2-pentanol 4.08
    n-pentane 0.38
    1-propoxy-2-propanol 18.56
    1-methoxy-2-propyl acetate 19.5
    2-(2-methoxypropoxy) propanol 31.34
    mesitylene 2.67
    ε-caprolactone 58.19
    p-cymene 3.45
    epichlorohydrin 66.77
    1,1,1-trichloroethane 18.61
    2-aminoethanol 3.67
    morpholine-4-carbaldehyde 69.33
    sulfolane 97.73
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 37.06
    n-hexyl acetate 29.75
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 44.22
    sec-butyl acetate 9.61
    tert-butyl acetate 13.38
    decalin 1.12
    glycerin 5.74
    diglyme 78.95
    acrylic acid 10.84
    isopropyl myristate 8.31
    n-butyric acid 21.92
    acetyl acetate 11.41
    di(2-ethylhexyl) phthalate 12.17
    ethyl propionate 11.3
    nitromethane 32.86
    1,2-diethoxyethane 22.71
    benzonitrile 11.6
    trioctyl phosphate 8.14
    1-bromopropane 10.05
    gamma-valerolactone 115.92
    n-decanol 6.52
    triethyl phosphate 8.99
    4-methyl-2-pentanol 3.38
    propionitrile 5.22
    vinylene carbonate 27.47
    1,1,2-trichlorotrifluoroethane 58.99
    DMS 13.23
    cumene 4.13
    2-octanol 6.05
    2-hexanone 17.22
    octyl acetate 13.09
    limonene 5.16
    1,2-dimethoxyethane 35.27
    ethyl orthosilicate 9.63
    tributyl phosphate 9.39
    diacetone alcohol 20.01
    N,N-dimethylaniline 11.76
    acrylonitrile 7.3
    aniline 9.1
    1,3-propanediol 7.19
    bromobenzene 12.65
    dibromomethane 24.79
    1,1,2,2-tetrachloroethane 52.45
    2-methyl-cyclohexyl acetate 15.6
    tetrabutyl urea 15.37
    diisobutyl methanol 2.72
    2-phenylethanol 11.98
    styrene 5.56
    dioctyl adipate 16.71
    dimethyl sulfate 22.54
    ethyl butyrate 11.13
    methyl lactate 12.12
    butyl lactate 22.98
    diethyl carbonate 6.61
    propanediol butyl ether 25.3
    triethyl orthoformate 12.6
    p-tert-butyltoluene 2.89
    methyl 4-tert-butylbenzoate 31.76
    morpholine 41.87
    tert-butylamine 2.2
    n-dodecanol 3.81
    dimethoxymethane 22.37
    ethylene carbonate 22.34
    cyrene 38.61
    2-ethoxyethyl acetate 38.55
    2-ethylhexyl acetate 10.52
    1,2,4-trichlorobenzene 21.26
    4-methylpyridine 22.28
    dibutyl ether 10.61
    2,6-dimethyl-4-heptanol 2.72
    DEF 24.75
    dimethyl isosorbide 53.24
    tetrachloroethylene 32.82
    eugenol 28.97
    triacetin 35.82
    span 80 28.19
    1,4-butanediol 3.96
    1,1-dichloroethane 14.74
    2-methyl-1-pentanol 8.97
    methyl formate 9.76
    2-methyl-1-butanol 7.63
    n-decane 0.9
    butyronitrile 6.21
    3,7-dimethyl-1-octanol 7.73
    1-chlorooctane 6.04
    1-chlorotetradecane 1.65
    n-nonane 0.72
    undecane 0.54
    tert-butylcyclohexane 0.74
    cyclooctane 0.47
    cyclopentanol 12.35
    tetrahydropyran 27.83
    tert-amyl methyl ether 9.15
    2,5,8-trioxanonane 48.96
    1-hexene 2.63
    2-isopropoxyethanol 17.79
    2,2,2-trifluoroethanol 11.49
    methyl butyrate 16.58

    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