Muricatalicin

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  • Identifiers

    CAS number
    179308-46-4

    Molecular formula
    C35H64O8

    SMILES
    CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCC(CCC(CC2=CC(OC2=O)C)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.58%
    Odorless 35.88%
    Lactonic 33.15%
    Sweet 33.05%
    Fruity 31.35%
    Peach 29.68%
    Fresh 29.14%
    Fatty 27.64%
    Milky 27.53%
    Buttery 25.49%

     

    Flavor
    Odorless 33.22%
    Mild 29.69%
    Bland 28.8%
    Fatty 28.26%
    Bitter 25.21%
    Sweet-like 22.41%
    Herbal 22.11%
    Waxy 21.56%
    Oily 21.11%
    Cedarleaf 20.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    9.33 (weak base)

    Molecular weight
    612.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2213°C

    Melting point expt.

    • 105 - 106 °C

    Flash point

    • 253.37 ˚C est.

  • Synonyms

    • Muricatalicin
    • 179308-46-4
    • 2-methyl-4-[2,5,11,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one
    • 2-methyl-4-[(13S)-2,5,11,13-tetrahydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
    • 179308-46-4

  • Applications

    Muricatalicin (CAS 179308-46-4) is considered for practical applications at the research stage such as acting as an intermediate in organic synthesis; serving as a solvent or processing aid in formulations; functioning as a stabilizer or chelating agent in polymer systems; being evaluated as a fragrance ingredient or fixative in perfumery and cosmetics; and used as an additive in coatings and inks to improve processability and formulation stability, with adherence to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.92
    methanol 15.77
    isopropanol 1.98
    water 0.15
    ethyl acetate 4.6
    n-propanol 4.59
    acetone 11.97
    n-butanol 3.21
    acetonitrile 2.2
    DMF 27.58
    toluene 2.12
    isobutanol 2.33
    1,4-dioxane 17.8
    methyl acetate 4.43
    THF 72.15
    2-butanone 9.24
    n-pentanol 3.99
    sec-butanol 2.28
    n-hexane 0.2
    ethylene glycol 1.45
    NMP 68.39
    cyclohexane 0.34
    DMSO 58.72
    n-butyl acetate 4.0
    n-octanol 6.25
    chloroform 16.5
    n-propyl acetate 5.07
    acetic acid 21.21
    dichloromethane 15.45
    cyclohexanone 28.25
    propylene glycol 2.74
    isopropyl acetate 4.62
    DMAc 68.37
    2-ethoxyethanol 19.17
    isopentanol 2.63
    n-heptane 0.25
    ethyl formate 5.33
    1,2-dichloroethane 7.94
    n-hexanol 2.56
    2-methoxyethanol 22.34
    isobutyl acetate 3.73
    tetrachloromethane 2.17
    n-pentyl acetate 13.37
    transcutol 80.18
    n-heptanol 5.49
    ethylbenzene 1.94
    MIBK 5.63
    2-propoxyethanol 16.81
    tert-butanol 2.21
    MTBE 2.86
    2-butoxyethanol 24.0
    propionic acid 6.42
    o-xylene 2.06
    formic acid 12.27
    diethyl ether 2.5
    m-xylene 1.88
    p-xylene 2.28
    chlorobenzene 3.45
    dimethyl carbonate 5.48
    n-octane 0.22
    formamide 14.49
    cyclopentanone 39.53
    2-pentanone 7.68
    anisole 5.65
    cyclopentyl methyl ether 12.49
    gamma-butyrolactone 38.93
    1-methoxy-2-propanol 15.3
    pyridine 12.38
    3-pentanone 6.12
    furfural 30.12
    n-dodecane 0.18
    diethylene glycol 9.46
    diisopropyl ether 0.84
    tert-amyl alcohol 2.99
    acetylacetone 15.89
    n-hexadecane 0.21
    acetophenone 9.84
    methyl propionate 6.15
    isopentyl acetate 4.97
    trichloroethylene 18.95
    n-nonanol 6.8
    cyclohexanol 4.15
    benzyl alcohol 6.43
    2-ethylhexanol 2.05
    isooctanol 4.32
    dipropyl ether 3.22
    1,2-dichlorobenzene 4.52
    ethyl lactate 6.28
    propylene carbonate 15.29
    n-methylformamide 12.22
    2-pentanol 1.59
    n-pentane 0.13
    1-propoxy-2-propanol 11.51
    1-methoxy-2-propyl acetate 9.9
    2-(2-methoxypropoxy) propanol 20.45
    mesitylene 1.11
    ε-caprolactone 28.1
    p-cymene 1.31
    epichlorohydrin 36.97
    1,1,1-trichloroethane 5.57
    2-aminoethanol 4.55
    morpholine-4-carbaldehyde 52.09
    sulfolane 80.53
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 17.54
    n-hexyl acetate 14.86
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 31.54
    sec-butyl acetate 4.08
    tert-butyl acetate 7.4
    decalin 0.37
    glycerin 7.17
    diglyme 55.27
    acrylic acid 7.35
    isopropyl myristate 4.04
    n-butyric acid 10.18
    acetyl acetate 5.79
    di(2-ethylhexyl) phthalate 6.61
    ethyl propionate 4.55
    nitromethane 27.54
    1,2-diethoxyethane 13.05
    benzonitrile 4.57
    trioctyl phosphate 4.73
    1-bromopropane 2.75
    gamma-valerolactone 78.56
    n-decanol 3.74
    triethyl phosphate 4.25
    4-methyl-2-pentanol 1.35
    propionitrile 2.09
    vinylene carbonate 14.08
    1,1,2-trichlorotrifluoroethane 39.71
    DMS 7.16
    cumene 1.53
    2-octanol 3.35
    2-hexanone 7.71
    octyl acetate 6.78
    limonene 1.9
    1,2-dimethoxyethane 24.24
    ethyl orthosilicate 4.53
    tributyl phosphate 4.89
    diacetone alcohol 12.72
    N,N-dimethylaniline 5.86
    acrylonitrile 3.54
    aniline 3.56
    1,3-propanediol 6.43
    bromobenzene 3.2
    dibromomethane 7.03
    1,1,2,2-tetrachloroethane 19.11
    2-methyl-cyclohexyl acetate 7.18
    tetrabutyl urea 8.67
    diisobutyl methanol 1.22
    2-phenylethanol 5.45
    styrene 1.82
    dioctyl adipate 8.93
    dimethyl sulfate 15.45
    ethyl butyrate 4.41
    methyl lactate 8.85
    butyl lactate 15.22
    diethyl carbonate 2.66
    propanediol butyl ether 21.95
    triethyl orthoformate 5.99
    p-tert-butyltoluene 1.25
    methyl 4-tert-butylbenzoate 19.33
    morpholine 25.61
    tert-butylamine 0.94
    n-dodecanol 2.11
    dimethoxymethane 19.87
    ethylene carbonate 11.29
    cyrene 27.45
    2-ethoxyethyl acetate 21.51
    2-ethylhexyl acetate 3.95
    1,2,4-trichlorobenzene 6.45
    4-methylpyridine 8.8
    dibutyl ether 4.92
    2,6-dimethyl-4-heptanol 1.22
    DEF 12.78
    dimethyl isosorbide 35.42
    tetrachloroethylene 12.16
    eugenol 18.35
    triacetin 20.75
    span 80 19.23
    1,4-butanediol 3.52
    1,1-dichloroethane 4.31
    2-methyl-1-pentanol 3.76
    methyl formate 9.14
    2-methyl-1-butanol 3.04
    n-decane 0.44
    butyronitrile 2.22
    3,7-dimethyl-1-octanol 3.91
    1-chlorooctane 2.68
    1-chlorotetradecane 0.76
    n-nonane 0.35
    undecane 0.27
    tert-butylcyclohexane 0.26
    cyclooctane 0.19
    cyclopentanol 6.69
    tetrahydropyran 12.58
    tert-amyl methyl ether 3.53
    2,5,8-trioxanonane 34.58
    1-hexene 0.88
    2-isopropoxyethanol 11.7
    2,2,2-trifluoroethanol 9.75
    methyl butyrate 7.29

    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