Osmundalin

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  • Identifiers

    CAS number
    54835-71-1

    Molecular formula
    C12H18O8

    SMILES
    CC1C(C=CC(=O)O1)OC2C(C(C(C(O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.85%
    Caramellic 31.19%
    Sweet 26.77%
    Savory 21.12%
    Milky 20.34%
    Burnt 20.2%
    Buttery 18.17%
    Roasted 17.16%
    Vanilla 16.76%
    Creamy 15.32%

     

    Flavor
    Bitter 65.2%
    Odorless 34.13%
    Sweet 32.68%
    Sweet-like 27.6%
    Fatty 25.49%
    Very mild 22.24%
    Cauliflower 21.82%
    Bland 21.61%
    Fenugreek 21.19%
    Alkaline 20.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    4.87 (weak acid)

    Molecular weight
    290.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1471°C

    Melting point expt.

    • 172.5 - 173.5 °C

    Flash point

    • 210.43 ˚C est.

  • Synonyms

    • OSMUNDALIN
    • 54835-71-1
    • 2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
    • 6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-2H-pyran-2-one
    • 2-methyl-3-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydropyran-6-one
    • 6-methyl-5-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-5,6-dihydro-2H-pyran-2-one
    • RefChem:168686
    • 2H-Pyran-2-one, 5-(beta-D-glucopyranosyloxy)-5,6-dihydro-6-methyl-, (5R,6S)-
    • CHEBI:169101
    • 54835-71-1

  • Applications

    Osmundalin (CAS 54835-71-1) is a specialty chemical used as an intermediate in organic synthesis and may serve as a solvent or processing aid in a range of industrial formulations. Depending on the formulation system, it can function as a stabilizer or a surfactant in polymer, coating, and ink formulations; it is also evaluated for applications in electronics manufacturing and industrial cleaning processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.51
    methanol 47.77
    isopropanol 3.77
    water 183.28
    ethyl acetate 1.44
    n-propanol 3.67
    acetone 5.2
    n-butanol 4.25
    acetonitrile 2.34
    DMF 161.82
    toluene 1.62
    isobutanol 1.61
    1,4-dioxane 13.72
    methyl acetate 1.4
    THF 14.0
    2-butanone 1.85
    n-pentanol 1.79
    sec-butanol 2.35
    n-hexane 0.17
    ethylene glycol 99.14
    NMP 105.67
    cyclohexane 1.31
    DMSO 665.44
    n-butyl acetate 0.97
    n-octanol 2.22
    chloroform 0.56
    n-propyl acetate 1.0
    acetic acid 70.64
    dichloromethane 0.85
    cyclohexanone 9.15
    propylene glycol 35.17
    isopropyl acetate 1.28
    DMAc 116.21
    2-ethoxyethanol 37.09
    isopentanol 2.95
    n-heptane 0.64
    ethyl formate 3.54
    1,2-dichloroethane 1.38
    n-hexanol 2.22
    2-methoxyethanol 104.84
    isobutyl acetate 0.51
    tetrachloromethane 0.31
    n-pentyl acetate 1.35
    transcutol 54.39
    n-heptanol 2.71
    ethylbenzene 0.72
    MIBK 2.16
    2-propoxyethanol 16.76
    tert-butanol 5.14
    MTBE 1.06
    2-butoxyethanol 11.22
    propionic acid 7.54
    o-xylene 2.05
    formic acid 435.72
    diethyl ether 1.6
    m-xylene 1.64
    p-xylene 0.79
    chlorobenzene 0.56
    dimethyl carbonate 7.4
    n-octane 0.39
    formamide 342.46
    cyclopentanone 11.25
    2-pentanone 2.44
    anisole 2.09
    cyclopentyl methyl ether 5.54
    gamma-butyrolactone 18.77
    1-methoxy-2-propanol 42.15
    pyridine 6.14
    3-pentanone 2.24
    furfural 26.2
    n-dodecane 0.24
    diethylene glycol 55.93
    diisopropyl ether 0.69
    tert-amyl alcohol 3.43
    acetylacetone 8.46
    n-hexadecane 0.26
    acetophenone 4.03
    methyl propionate 3.27
    isopentyl acetate 1.05
    trichloroethylene 1.89
    n-nonanol 2.37
    cyclohexanol 7.33
    benzyl alcohol 5.42
    2-ethylhexanol 1.42
    isooctanol 2.08
    dipropyl ether 2.22
    1,2-dichlorobenzene 0.78
    ethyl lactate 5.83
    propylene carbonate 6.97
    n-methylformamide 60.83
    2-pentanol 2.18
    n-pentane 0.34
    1-propoxy-2-propanol 9.28
    1-methoxy-2-propyl acetate 4.81
    2-(2-methoxypropoxy) propanol 15.11
    mesitylene 1.29
    ε-caprolactone 8.81
    p-cymene 0.97
    epichlorohydrin 8.98
    1,1,1-trichloroethane 0.39
    2-aminoethanol 56.76
    morpholine-4-carbaldehyde 82.34
    sulfolane 82.81
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 4.5
    n-hexyl acetate 1.98
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 20.68
    sec-butyl acetate 0.63
    tert-butyl acetate 2.23
    decalin 0.27
    glycerin 135.92
    diglyme 35.25
    acrylic acid 18.55
    isopropyl myristate 1.18
    n-butyric acid 6.41
    acetyl acetate 2.52
    di(2-ethylhexyl) phthalate 2.73
    ethyl propionate 1.24
    nitromethane 51.44
    1,2-diethoxyethane 4.32
    benzonitrile 2.05
    trioctyl phosphate 2.13
    1-bromopropane 0.5
    gamma-valerolactone 37.69
    n-decanol 1.95
    triethyl phosphate 2.2
    4-methyl-2-pentanol 1.47
    propionitrile 1.14
    vinylene carbonate 7.41
    1,1,2-trichlorotrifluoroethane 36.97
    DMS 3.06
    cumene 0.57
    2-octanol 1.53
    2-hexanone 1.13
    octyl acetate 1.82
    limonene 1.52
    1,2-dimethoxyethane 22.49
    ethyl orthosilicate 1.97
    tributyl phosphate 1.88
    diacetone alcohol 11.29
    N,N-dimethylaniline 3.0
    acrylonitrile 3.01
    aniline 4.44
    1,3-propanediol 54.26
    bromobenzene 0.42
    dibromomethane 0.52
    1,1,2,2-tetrachloroethane 2.21
    2-methyl-cyclohexyl acetate 2.08
    tetrabutyl urea 4.2
    diisobutyl methanol 1.37
    2-phenylethanol 3.89
    styrene 0.67
    dioctyl adipate 2.74
    dimethyl sulfate 25.57
    ethyl butyrate 1.55
    methyl lactate 20.43
    butyl lactate 3.95
    diethyl carbonate 1.3
    propanediol butyl ether 15.04
    triethyl orthoformate 2.21
    p-tert-butyltoluene 1.0
    methyl 4-tert-butylbenzoate 7.6
    morpholine 20.34
    tert-butylamine 1.58
    n-dodecanol 1.57
    dimethoxymethane 32.23
    ethylene carbonate 5.43
    cyrene 26.74
    2-ethoxyethyl acetate 3.26
    2-ethylhexyl acetate 0.81
    1,2,4-trichlorobenzene 1.18
    4-methylpyridine 3.89
    dibutyl ether 1.37
    2,6-dimethyl-4-heptanol 1.37
    DEF 13.95
    dimethyl isosorbide 21.01
    tetrachloroethylene 2.32
    eugenol 8.97
    triacetin 5.85
    span 80 11.86
    1,4-butanediol 19.03
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 1.6
    methyl formate 32.65
    2-methyl-1-butanol 2.21
    n-decane 0.41
    butyronitrile 1.26
    3,7-dimethyl-1-octanol 1.72
    1-chlorooctane 0.72
    1-chlorotetradecane 0.4
    n-nonane 0.4
    undecane 0.3
    tert-butylcyclohexane 0.13
    cyclooctane 0.7
    cyclopentanol 6.24
    tetrahydropyran 4.71
    tert-amyl methyl ether 1.69
    2,5,8-trioxanonane 32.64
    1-hexene 0.32
    2-isopropoxyethanol 12.36
    2,2,2-trifluoroethanol 39.98
    methyl butyrate 1.81

    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