Muconin

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  • Identifiers

    CAS number
    183195-98-4

    Molecular formula
    C37H66O7

    SMILES
    CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CCC[C@H](O2)[C@H](CCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 37.45%
    Fruity 34.18%
    Lactonic 33.6%
    Peach 32.14%
    Fresh 30.18%
    Odorless 29.49%
    Sweet 28.64%
    Waxy 28.18%
    Fatty 28.09%
    Milky 26.66%

     

    Flavor
    Fatty 32.82%
    Mild 26.59%
    Bland 26.43%
    Waxy 25.75%
    Odorless 24.92%
    Oily 24.81%
    Herbal 23.69%
    Cedarleaf 21.2%
    Slightly waxy 20.98%
    Mentholic 20.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    7.95 (neutral)

    Molecular weight
    622.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1634°C

    Flash point

    • 237.21 ˚C est.

  • Synonyms

    • muconin
    • (2S)-4-((2R,10S)-2,10-dihydroxy-10-((2S,6R)-6-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)oxan-2-yl)decyl)-2-methyl-2H-furan-5-one
    • (2S)-4-[(2R,10S)-2,10-dihydroxy-10-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxan-2-yl]decyl]-2-methyl-2H-furan-5-one
    • RefChem:926204
    • CHEMBL449901
    • SCHEMBL29931091
    • DTXSID101099706
    • 183195-98-4
    • (5S)-3-[(2R,10S)-2,10-Dihydroxy-10-[(2S,6R)-tetrahydro-6-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]-2H-pyran-2-yl]decyl]-5-methyl-2(5H)-furanone
    • 183195-98-4

  • Applications

    Muconin (CAS 183195-98-4) is viewed as an intermediate and building block in organic synthesis, potentially serving as a precursor for specialty polymers and plastics; it may be used as a solvent or processing aid in manufacturing and in formulations for paints, coatings, and adhesives; it can be used as a component in coatings/inks and in industrial cleaning formulations; and it is considered for fragrance/odorant applications at the research stage, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.93
    methanol 9.59
    isopropanol 4.03
    water 0.15
    ethyl acetate 27.33
    n-propanol 9.08
    acetone 21.85
    n-butanol 9.56
    acetonitrile 6.66
    DMF 35.75
    toluene 14.05
    isobutanol 6.16
    1,4-dioxane 38.63
    methyl acetate 20.06
    THF 112.44
    2-butanone 32.67
    n-pentanol 9.17
    sec-butanol 7.36
    n-hexane 0.8
    ethylene glycol 1.3
    NMP 166.28
    cyclohexane 1.77
    DMSO 47.15
    n-butyl acetate 19.63
    n-octanol 13.68
    chloroform 99.04
    n-propyl acetate 20.53
    acetic acid 35.81
    dichloromethane 89.2
    cyclohexanone 89.66
    propylene glycol 2.95
    isopropyl acetate 22.99
    DMAc 123.42
    2-ethoxyethanol 28.35
    isopentanol 8.55
    n-heptane 1.01
    ethyl formate 17.67
    1,2-dichloroethane 38.32
    n-hexanol 7.54
    2-methoxyethanol 29.13
    isobutyl acetate 13.46
    tetrachloromethane 13.44
    n-pentyl acetate 46.56
    transcutol 127.56
    n-heptanol 12.75
    ethylbenzene 9.02
    MIBK 20.12
    2-propoxyethanol 31.29
    tert-butanol 5.0
    MTBE 10.95
    2-butoxyethanol 44.03
    propionic acid 19.83
    o-xylene 12.17
    formic acid 14.28
    diethyl ether 10.69
    m-xylene 10.5
    p-xylene 9.59
    chlorobenzene 24.27
    dimethyl carbonate 19.88
    n-octane 0.72
    formamide 18.32
    cyclopentanone 104.73
    2-pentanone 30.49
    anisole 19.83
    cyclopentyl methyl ether 45.73
    gamma-butyrolactone 126.62
    1-methoxy-2-propanol 27.27
    pyridine 45.15
    3-pentanone 28.62
    furfural 88.91
    n-dodecane 0.58
    diethylene glycol 12.75
    diisopropyl ether 4.16
    tert-amyl alcohol 9.31
    acetylacetone 44.83
    n-hexadecane 0.71
    acetophenone 33.3
    methyl propionate 30.03
    isopentyl acetate 21.77
    trichloroethylene 101.71
    n-nonanol 15.28
    cyclohexanol 17.14
    benzyl alcohol 17.54
    2-ethylhexanol 7.37
    isooctanol 11.28
    dipropyl ether 10.8
    1,2-dichlorobenzene 30.36
    ethyl lactate 18.16
    propylene carbonate 63.42
    n-methylformamide 19.93
    2-pentanol 6.65
    n-pentane 0.71
    1-propoxy-2-propanol 26.0
    1-methoxy-2-propyl acetate 36.5
    2-(2-methoxypropoxy) propanol 38.22
    mesitylene 5.53
    ε-caprolactone 112.81
    p-cymene 6.38
    epichlorohydrin 112.31
    1,1,1-trichloroethane 37.74
    2-aminoethanol 4.75
    morpholine-4-carbaldehyde 101.6
    sulfolane 184.08
    2,2,4-trimethylpentane 0.97
    2-methyltetrahydrofuran 63.08
    n-hexyl acetate 46.6
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 53.31
    sec-butyl acetate 18.27
    tert-butyl acetate 27.55
    decalin 1.82
    glycerin 7.48
    diglyme 102.56
    acrylic acid 19.57
    isopropyl myristate 12.7
    n-butyric acid 39.72
    acetyl acetate 26.38
    di(2-ethylhexyl) phthalate 17.0
    ethyl propionate 22.57
    nitromethane 54.9
    1,2-diethoxyethane 31.74
    benzonitrile 17.15
    trioctyl phosphate 12.19
    1-bromopropane 16.56
    gamma-valerolactone 184.06
    n-decanol 8.53
    triethyl phosphate 16.62
    4-methyl-2-pentanol 4.97
    propionitrile 7.44
    vinylene carbonate 57.16
    1,1,2-trichlorotrifluoroethane 97.41
    DMS 26.26
    cumene 6.3
    2-octanol 9.11
    2-hexanone 22.7
    octyl acetate 20.16
    limonene 9.48
    1,2-dimethoxyethane 39.33
    ethyl orthosilicate 16.64
    tributyl phosphate 14.33
    diacetone alcohol 32.11
    N,N-dimethylaniline 16.78
    acrylonitrile 10.99
    aniline 17.42
    1,3-propanediol 9.08
    bromobenzene 26.0
    dibromomethane 45.67
    1,1,2,2-tetrachloroethane 88.3
    2-methyl-cyclohexyl acetate 24.73
    tetrabutyl urea 20.94
    diisobutyl methanol 4.43
    2-phenylethanol 16.42
    styrene 9.09
    dioctyl adipate 25.34
    dimethyl sulfate 50.69
    ethyl butyrate 20.85
    methyl lactate 24.23
    butyl lactate 40.8
    diethyl carbonate 12.84
    propanediol butyl ether 31.08
    triethyl orthoformate 22.22
    p-tert-butyltoluene 5.78
    methyl 4-tert-butylbenzoate 51.11
    morpholine 57.87
    tert-butylamine 2.78
    n-dodecanol 4.99
    dimethoxymethane 34.49
    ethylene carbonate 49.22
    cyrene 51.57
    2-ethoxyethyl acetate 68.31
    2-ethylhexyl acetate 19.31
    1,2,4-trichlorobenzene 41.82
    4-methylpyridine 37.96
    dibutyl ether 14.84
    2,6-dimethyl-4-heptanol 4.43
    DEF 44.61
    dimethyl isosorbide 73.36
    tetrachloroethylene 58.27
    eugenol 40.75
    triacetin 63.26
    span 80 36.36
    1,4-butanediol 4.52
    1,1-dichloroethane 27.93
    2-methyl-1-pentanol 10.22
    methyl formate 17.18
    2-methyl-1-butanol 10.26
    n-decane 1.47
    butyronitrile 8.41
    3,7-dimethyl-1-octanol 10.37
    1-chlorooctane 9.33
    1-chlorotetradecane 2.45
    n-nonane 1.17
    undecane 0.86
    tert-butylcyclohexane 1.18
    cyclooctane 1.03
    cyclopentanol 20.32
    tetrahydropyran 42.21
    tert-amyl methyl ether 15.78
    2,5,8-trioxanonane 59.82
    1-hexene 3.42
    2-isopropoxyethanol 21.08
    2,2,2-trifluoroethanol 23.29
    methyl butyrate 30.23

    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