Leptophylloside

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  • Identifiers

    CAS number
    53846-51-8

    Molecular formula
    C20H24O10

    SMILES
    CC(C)([C@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

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  • Odor profile

    Fragrance
    Odorless 71.15%
    Vanilla 28.51%
    Milky 25.38%
    Sweet 21.84%
    Creamy 20.9%
    Savory 19.96%
    Dairy 17.42%
    Caramellic 16.01%
    Cooling 15.49%
    Bitter 15.31%

     

    Flavor
    Bitter 81.5%
    Bland 29.35%
    Odorless 26.53%
    Sweet-like 24.89%
    Cedarleaf 20.65%
    Parsley 19.47%
    Lovage 18.87%
    Eugenol 18.85%
    Naphthalic 18.66%
    Carrot 18.54%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.88 (neutral)

    Molecular weight
    424.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2818°C

    Flash point

    • 274.19 ˚C est.

  • Synonyms

    • Leptophylloside
    • (2R)-9-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
    • (2R)-9-hydroxy-2-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-7-one
    • RefChem:1088410
    • ISORUTARIN
    • 53846-51-8
    • isorutarine
    • 2-[(2r)-9-hydroxy-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl |A-d-glucopyranoside
    • MEGxp0_001086
    • DTXSID50968621
    • CHEBI:176054
    • AKOS040752487
    • DA-74588
    • HY-126212
    • CS-0092616
    • E87126
    • (2R)-9-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
    • 2-(9-Hydroxy-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propan-2-yl hexopyranoside
    • 2-[(2R)-9-Hydroxy-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside
    • 53846-51-8

  • Applications

    Leptophylloside (CAS 53846-51-8) is a glycoside that is typically considered as an intermediate in chemical synthesis and as a fragrance-related ingredient. In perfumery, it may function as a scent component or fragrance precursor; in cosmetics/personal care, as a fragrance constituent in creams, lotions, and cleansers; and in household products, contributing to odor profiles in detergents and cleaners. In industrial manufacturing, it can be used as a chemical building block for various synthetic routes, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.68
    methanol 43.7
    isopropanol 6.19
    water 4.49
    ethyl acetate 3.56
    n-propanol 8.97
    acetone 14.77
    n-butanol 6.27
    acetonitrile 4.12
    DMF 112.71
    toluene 0.85
    isobutanol 3.21
    1,4-dioxane 20.88
    methyl acetate 4.55
    THF 49.62
    2-butanone 7.7
    n-pentanol 3.25
    sec-butanol 4.23
    n-hexane 0.05
    ethylene glycol 44.23
    NMP 81.97
    cyclohexane 0.18
    DMSO 267.2
    n-butyl acetate 1.35
    n-octanol 4.06
    chloroform 1.07
    n-propyl acetate 1.57
    acetic acid 93.59
    dichloromethane 1.51
    cyclohexanone 15.41
    propylene glycol 28.4
    isopropyl acetate 2.34
    DMAc 104.98
    2-ethoxyethanol 48.61
    isopentanol 3.41
    n-heptane 0.2
    ethyl formate 6.98
    1,2-dichloroethane 1.63
    n-hexanol 2.48
    2-methoxyethanol 111.11
    isobutyl acetate 0.79
    tetrachloromethane 0.28
    n-pentyl acetate 3.67
    transcutol 44.3
    n-heptanol 4.6
    ethylbenzene 0.35
    MIBK 2.93
    2-propoxyethanol 27.52
    tert-butanol 4.03
    MTBE 1.43
    2-butoxyethanol 21.09
    propionic acid 14.27
    o-xylene 0.72
    formic acid 189.74
    diethyl ether 2.41
    m-xylene 0.63
    p-xylene 0.43
    chlorobenzene 0.54
    dimethyl carbonate 10.46
    n-octane 0.16
    formamide 163.39
    cyclopentanone 28.09
    2-pentanone 6.09
    anisole 1.79
    cyclopentyl methyl ether 6.68
    gamma-butyrolactone 34.22
    1-methoxy-2-propanol 49.89
    pyridine 9.83
    3-pentanone 3.7
    furfural 31.13
    n-dodecane 0.13
    diethylene glycol 53.32
    diisopropyl ether 0.52
    tert-amyl alcohol 3.36
    acetylacetone 13.49
    n-hexadecane 0.15
    acetophenone 3.52
    methyl propionate 6.39
    isopentyl acetate 1.57
    trichloroethylene 3.21
    n-nonanol 4.14
    cyclohexanol 4.83
    benzyl alcohol 5.07
    2-ethylhexanol 1.3
    isooctanol 2.92
    dipropyl ether 1.89
    1,2-dichlorobenzene 0.61
    ethyl lactate 5.98
    propylene carbonate 9.74
    n-methylformamide 54.94
    2-pentanol 2.48
    n-pentane 0.08
    1-propoxy-2-propanol 12.43
    1-methoxy-2-propyl acetate 6.29
    2-(2-methoxypropoxy) propanol 15.22
    mesitylene 0.41
    ε-caprolactone 13.73
    p-cymene 0.52
    epichlorohydrin 21.62
    1,1,1-trichloroethane 0.51
    2-aminoethanol 41.34
    morpholine-4-carbaldehyde 90.31
    sulfolane 82.34
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 9.14
    n-hexyl acetate 4.36
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 23.17
    sec-butyl acetate 0.97
    tert-butyl acetate 2.67
    decalin 0.07
    glycerin 90.08
    diglyme 38.57
    acrylic acid 27.18
    isopropyl myristate 1.67
    n-butyric acid 12.3
    acetyl acetate 3.88
    di(2-ethylhexyl) phthalate 3.21
    ethyl propionate 1.65
    nitromethane 73.15
    1,2-diethoxyethane 5.55
    benzonitrile 2.46
    trioctyl phosphate 2.76
    1-bromopropane 0.5
    gamma-valerolactone 77.72
    n-decanol 2.68
    triethyl phosphate 1.76
    4-methyl-2-pentanol 1.33
    propionitrile 2.31
    vinylene carbonate 10.01
    1,1,2-trichlorotrifluoroethane 45.09
    DMS 4.18
    cumene 0.27
    2-octanol 2.49
    2-hexanone 2.36
    octyl acetate 3.07
    limonene 0.79
    1,2-dimethoxyethane 31.35
    ethyl orthosilicate 1.67
    tributyl phosphate 2.15
    diacetone alcohol 12.37
    N,N-dimethylaniline 1.76
    acrylonitrile 5.52
    aniline 3.22
    1,3-propanediol 47.36
    bromobenzene 0.35
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 2.99
    2-methyl-cyclohexyl acetate 2.15
    tetrabutyl urea 4.8
    diisobutyl methanol 0.92
    2-phenylethanol 4.12
    styrene 0.39
    dioctyl adipate 3.66
    dimethyl sulfate 22.61
    ethyl butyrate 1.51
    methyl lactate 21.39
    butyl lactate 6.86
    diethyl carbonate 1.21
    propanediol butyl ether 22.4
    triethyl orthoformate 2.28
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 7.79
    morpholine 33.23
    tert-butylamine 0.92
    n-dodecanol 1.75
    dimethoxymethane 43.04
    ethylene carbonate 7.24
    cyrene 25.24
    2-ethoxyethyl acetate 7.92
    2-ethylhexyl acetate 1.12
    1,2,4-trichlorobenzene 1.17
    4-methylpyridine 5.35
    dibutyl ether 1.8
    2,6-dimethyl-4-heptanol 0.92
    DEF 15.64
    dimethyl isosorbide 18.49
    tetrachloroethylene 2.38
    eugenol 10.29
    triacetin 8.69
    span 80 13.29
    1,4-butanediol 16.33
    1,1-dichloroethane 0.59
    2-methyl-1-pentanol 2.14
    methyl formate 38.96
    2-methyl-1-butanol 3.17
    n-decane 0.27
    butyronitrile 2.33
    3,7-dimethyl-1-octanol 2.13
    1-chlorooctane 0.81
    1-chlorotetradecane 0.32
    n-nonane 0.23
    undecane 0.18
    tert-butylcyclohexane 0.04
    cyclooctane 0.11
    cyclopentanol 8.27
    tetrahydropyran 7.75
    tert-amyl methyl ether 1.78
    2,5,8-trioxanonane 28.01
    1-hexene 0.18
    2-isopropoxyethanol 17.32
    2,2,2-trifluoroethanol 32.56
    methyl butyrate 2.65

    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