Leptosin

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  • Identifiers

    CAS number
    486-23-7

    Molecular formula
    C22H22O11

    SMILES
    COC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.12%
    Vanilla 38.07%
    Phenolic 26.5%
    Sweet 24.08%
    Milky 23.59%
    Burnt 22.84%
    Savory 22.57%
    Spicy 22.24%
    Smoky 20.26%
    Balsamic 20.22%

     

    Flavor
    Bitter 86.28%
    Bland 33.94%
    Odorless 28.27%
    Sweet-like 24.84%
    Cedarleaf 20.05%
    Parsley 19.85%
    Lovage 19.32%
    Eugenol 19.01%
    Very mild 18.94%
    Nitrile 18.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.92 (neutral)

    Molecular weight
    462.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2728°C

    Flash point

    • 274.46 ˚C est.

  • Synonyms

    • Leptosin
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
    • 486-23-7
    • 3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methylene)-6-(beta-D-glucopyranosyloxy)-7-methoxy-, (Z)-
    • (2Z)-2-((3,4-dihydroxyphenyl)methylidene)-7-methoxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one
    • RefChem:152844
    • CHEMBL3797767
    • SCHEMBL31360843
    • CHEBI:191619
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-3-one
    • 486-23-7

  • Applications

    Leptosin (CAS 486-23-7) is viewed as an intermediate in the synthesis of specialty chemicals; in industry, it may be used as a starting material for various synthetic sequences, and can, at times, function as a solvent or co-solvent in manufacturing processes; it is evaluated as a stabilizer or processing aid for polymer and plastic formulations, and may be used in coatings and inks as a reactive diluent or precursor to improve processing and performance; actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.46
    methanol 26.5
    isopropanol 11.29
    water 0.91
    ethyl acetate 5.29
    n-propanol 14.89
    acetone 24.37
    n-butanol 8.78
    acetonitrile 6.0
    DMF 94.23
    toluene 0.46
    isobutanol 4.14
    1,4-dioxane 21.47
    methyl acetate 7.28
    THF 64.94
    2-butanone 13.53
    n-pentanol 3.69
    sec-butanol 7.66
    n-hexane 0.04
    ethylene glycol 46.5
    NMP 50.63
    cyclohexane 0.13
    DMSO 213.45
    n-butyl acetate 0.9
    n-octanol 4.13
    chloroform 0.75
    n-propyl acetate 1.45
    acetic acid 68.17
    dichloromethane 0.99
    cyclohexanone 12.54
    propylene glycol 41.94
    isopropyl acetate 2.43
    DMAc 84.75
    2-ethoxyethanol 58.21
    isopentanol 3.58
    n-heptane 0.13
    ethyl formate 6.85
    1,2-dichloroethane 1.22
    n-hexanol 1.74
    2-methoxyethanol 161.37
    isobutyl acetate 0.47
    tetrachloromethane 0.15
    n-pentyl acetate 2.93
    transcutol 57.54
    n-heptanol 3.58
    ethylbenzene 0.18
    MIBK 2.43
    2-propoxyethanol 23.83
    tert-butanol 5.24
    MTBE 1.66
    2-butoxyethanol 16.45
    propionic acid 15.45
    o-xylene 0.33
    formic acid 101.87
    diethyl ether 4.07
    m-xylene 0.25
    p-xylene 0.19
    chlorobenzene 0.25
    dimethyl carbonate 9.94
    n-octane 0.14
    formamide 109.13
    cyclopentanone 27.7
    2-pentanone 8.98
    anisole 1.23
    cyclopentyl methyl ether 5.45
    gamma-butyrolactone 31.81
    1-methoxy-2-propanol 73.99
    pyridine 8.54
    3-pentanone 4.81
    furfural 17.96
    n-dodecane 0.13
    diethylene glycol 43.25
    diisopropyl ether 0.44
    tert-amyl alcohol 3.92
    acetylacetone 14.71
    n-hexadecane 0.15
    acetophenone 1.78
    methyl propionate 9.05
    isopentyl acetate 0.75
    trichloroethylene 2.17
    n-nonanol 4.05
    cyclohexanol 4.98
    benzyl alcohol 3.17
    2-ethylhexanol 0.76
    isooctanol 2.07
    dipropyl ether 1.82
    1,2-dichlorobenzene 0.22
    ethyl lactate 5.12
    propylene carbonate 5.35
    n-methylformamide 50.48
    2-pentanol 3.73
    n-pentane 0.09
    1-propoxy-2-propanol 11.53
    1-methoxy-2-propyl acetate 4.34
    2-(2-methoxypropoxy) propanol 13.4
    mesitylene 0.14
    ε-caprolactone 10.88
    p-cymene 0.18
    epichlorohydrin 20.4
    1,1,1-trichloroethane 0.32
    2-aminoethanol 46.97
    morpholine-4-carbaldehyde 68.49
    sulfolane 49.67
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 9.98
    n-hexyl acetate 3.88
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 23.1
    sec-butyl acetate 0.74
    tert-butyl acetate 2.08
    decalin 0.03
    glycerin 107.35
    diglyme 35.0
    acrylic acid 22.54
    isopropyl myristate 1.39
    n-butyric acid 12.62
    acetyl acetate 3.05
    di(2-ethylhexyl) phthalate 1.83
    ethyl propionate 1.76
    nitromethane 85.08
    1,2-diethoxyethane 6.77
    benzonitrile 1.27
    trioctyl phosphate 1.87
    1-bromopropane 0.52
    gamma-valerolactone 64.26
    n-decanol 2.74
    triethyl phosphate 0.92
    4-methyl-2-pentanol 1.17
    propionitrile 3.44
    vinylene carbonate 5.32
    1,1,2-trichlorotrifluoroethane 32.05
    DMS 3.42
    cumene 0.11
    2-octanol 2.31
    2-hexanone 2.23
    octyl acetate 2.6
    limonene 0.34
    1,2-dimethoxyethane 30.21
    ethyl orthosilicate 0.88
    tributyl phosphate 1.47
    diacetone alcohol 11.75
    N,N-dimethylaniline 0.97
    acrylonitrile 6.69
    aniline 2.32
    1,3-propanediol 57.81
    bromobenzene 0.14
    dibromomethane 0.44
    1,1,2,2-tetrachloroethane 1.95
    2-methyl-cyclohexyl acetate 0.91
    tetrabutyl urea 3.37
    diisobutyl methanol 0.55
    2-phenylethanol 1.81
    styrene 0.19
    dioctyl adipate 2.75
    dimethyl sulfate 16.18
    ethyl butyrate 1.16
    methyl lactate 23.63
    butyl lactate 5.69
    diethyl carbonate 0.82
    propanediol butyl ether 21.87
    triethyl orthoformate 1.54
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 4.52
    morpholine 40.62
    tert-butylamine 1.17
    n-dodecanol 1.8
    dimethoxymethane 58.13
    ethylene carbonate 4.53
    cyrene 15.05
    2-ethoxyethyl acetate 7.11
    2-ethylhexyl acetate 0.5
    1,2,4-trichlorobenzene 0.45
    4-methylpyridine 3.5
    dibutyl ether 2.14
    2,6-dimethyl-4-heptanol 0.55
    DEF 15.11
    dimethyl isosorbide 12.11
    tetrachloroethylene 1.32
    eugenol 6.26
    triacetin 6.95
    span 80 12.57
    1,4-butanediol 16.32
    1,1-dichloroethane 0.56
    2-methyl-1-pentanol 1.69
    methyl formate 34.17
    2-methyl-1-butanol 3.71
    n-decane 0.26
    butyronitrile 2.85
    3,7-dimethyl-1-octanol 1.64
    1-chlorooctane 0.78
    1-chlorotetradecane 0.29
    n-nonane 0.22
    undecane 0.18
    tert-butylcyclohexane 0.02
    cyclooctane 0.07
    cyclopentanol 9.77
    tetrahydropyran 9.65
    tert-amyl methyl ether 1.8
    2,5,8-trioxanonane 25.59
    1-hexene 0.16
    2-isopropoxyethanol 16.42
    2,2,2-trifluoroethanol 20.26
    methyl butyrate 2.5

    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