Lappaol C

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  • Identifiers

    CAS number
    64855-00-1

    Molecular formula
    C30H34O10

    SMILES
    COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)C[C@H]3COC(=O)[C@@H]3CC4=CC(=C(C=C4)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 57.8%
    Odorless 49.45%
    Sweet 42.26%
    Spicy 39.07%
    Balsamic 39.06%
    Creamy 30.89%
    Phenolic 29.39%
    Milky 29.05%
    Powdery 28.11%
    Smoky 25.01%

     

    Flavor
    Bitter 81.31%
    Bland 36.59%
    Odorless 33.61%
    Sweet-like 24.5%
    Mild 21.15%
    Parsley 20.89%
    Cedarleaf 20.24%
    Eugenol 19.88%
    Lovage 19.6%
    Ethyl benzoate 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.13 (weak base)

    Molecular weight
    554.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1816°C

    Flash point

    • 251.53 ˚C est.

  • Synonyms

    • LAPPAOL C
    • 64855-00-1
    • 9R9RZN471Y
    • NSC-287068
    • 2(3H)-Furanone, dihydro-4-((4-hydroxy-3-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl)-5-methoxyphenyl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-
    • 2(3H)-Furanone, dihydro-4-[[4-hydroxy-3-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl]-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-
    • DTXSID30314662
    • RefChem:40548
    • GlyTouCan:G50988VK
    • DTXCID70265785
    • G50988VK
    • (3R,4R)-4-((3-(1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)-4-hydroxy-5-methoxyphenyl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-one
    • 4-((3-(1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)-4-hydroxy-5-methoxyphenyl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-one
    • UNII-9R9RZN471Y
    • orb1682236
    • CHEBI:81275
    • HY-N9974
    • AKOS040761966
    • CS-0227074
    • C17686
    • Q27155216
    • (3R,4R)-4-(3-(1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)-4-hydroxy-5-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
    • 64855-00-1

  • Applications

    Lappaol C (CAS 64855-00-1) is a naturally derived polyphenolic compound that is primarily used as an intermediate or building block in organic synthesis, enabling derivatization to access polyphenolic scaffolds for further synthetic elaboration. It is commonly evaluated as a research chemical with potential bioactivity in pharmaceutical and biotech programs, including exploratory studies on antioxidant or enzyme-interaction properties, while remaining subject to regulatory and formulation constraints. In analytical laboratories it can serve as a reference material or standard for method development and compound identification in natural product chemistry (e.g., HPLC/LC-MS workflows). In cosmetic and personal-care research, Lappaol C may be evaluated as a polyphenolic ingredient under appropriate regulatory controls and formulation limits. Its use in other material applications would depend on the compound's physicochemical properties and supplier guidance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.77
    methanol 5.99
    isopropanol 1.62
    water 0.07
    ethyl acetate 0.99
    n-propanol 2.1
    acetone 6.33
    n-butanol 1.25
    acetonitrile 0.95
    DMF 24.04
    toluene 0.26
    isobutanol 0.82
    1,4-dioxane 8.23
    methyl acetate 1.72
    THF 24.26
    2-butanone 3.08
    n-pentanol 0.9
    sec-butanol 1.06
    n-hexane 0.02
    ethylene glycol 4.12
    NMP 13.46
    cyclohexane 0.03
    DMSO 74.67
    n-butyl acetate 0.29
    n-octanol 1.07
    chloroform 2.19
    n-propyl acetate 0.5
    acetic acid 12.32
    dichloromethane 1.92
    cyclohexanone 3.81
    propylene glycol 4.05
    isopropyl acetate 0.68
    DMAc 24.67
    2-ethoxyethanol 9.66
    isopentanol 0.69
    n-heptane 0.04
    ethyl formate 1.42
    1,2-dichloroethane 1.18
    n-hexanol 0.46
    2-methoxyethanol 19.8
    isobutyl acetate 0.24
    tetrachloromethane 0.23
    n-pentyl acetate 1.29
    transcutol 10.52
    n-heptanol 1.02
    ethylbenzene 0.14
    MIBK 0.78
    2-propoxyethanol 5.47
    tert-butanol 1.19
    MTBE 0.67
    2-butoxyethanol 4.86
    propionic acid 2.68
    o-xylene 0.19
    formic acid 10.6
    diethyl ether 0.92
    m-xylene 0.16
    p-xylene 0.15
    chlorobenzene 0.26
    dimethyl carbonate 2.92
    n-octane 0.04
    formamide 11.83
    cyclopentanone 9.0
    2-pentanone 1.9
    anisole 0.74
    cyclopentyl methyl ether 1.67
    gamma-butyrolactone 8.97
    1-methoxy-2-propanol 10.39
    pyridine 3.2
    3-pentanone 1.33
    furfural 6.15
    n-dodecane 0.03
    diethylene glycol 6.94
    diisopropyl ether 0.14
    tert-amyl alcohol 0.9
    acetylacetone 4.3
    n-hexadecane 0.03
    acetophenone 0.89
    methyl propionate 1.89
    isopentyl acetate 0.28
    trichloroethylene 3.29
    n-nonanol 1.18
    cyclohexanol 0.82
    benzyl alcohol 1.18
    2-ethylhexanol 0.22
    isooctanol 0.66
    dipropyl ether 0.6
    1,2-dichlorobenzene 0.28
    ethyl lactate 1.13
    propylene carbonate 1.62
    n-methylformamide 9.52
    2-pentanol 0.53
    n-pentane 0.02
    1-propoxy-2-propanol 2.6
    1-methoxy-2-propyl acetate 1.27
    2-(2-methoxypropoxy) propanol 3.62
    mesitylene 0.08
    ε-caprolactone 2.91
    p-cymene 0.09
    epichlorohydrin 9.39
    1,1,1-trichloroethane 0.48
    2-aminoethanol 4.69
    morpholine-4-carbaldehyde 15.97
    sulfolane 19.24
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.62
    n-hexyl acetate 1.47
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.73
    sec-butyl acetate 0.27
    tert-butyl acetate 0.84
    decalin 0.02
    glycerin 10.54
    diglyme 9.71
    acrylic acid 4.38
    isopropyl myristate 0.46
    n-butyric acid 2.16
    acetyl acetate 1.05
    di(2-ethylhexyl) phthalate 0.72
    ethyl propionate 0.56
    nitromethane 18.23
    1,2-diethoxyethane 2.14
    benzonitrile 0.54
    trioctyl phosphate 0.59
    1-bromopropane 0.34
    gamma-valerolactone 20.97
    n-decanol 0.71
    triethyl phosphate 0.32
    4-methyl-2-pentanol 0.27
    propionitrile 0.81
    vinylene carbonate 2.01
    1,1,2-trichlorotrifluoroethane 15.37
    DMS 1.2
    cumene 0.09
    2-octanol 0.66
    2-hexanone 0.9
    octyl acetate 0.83
    limonene 0.12
    1,2-dimethoxyethane 9.22
    ethyl orthosilicate 0.34
    tributyl phosphate 0.45
    diacetone alcohol 2.84
    N,N-dimethylaniline 0.61
    acrylonitrile 1.66
    aniline 0.81
    1,3-propanediol 6.1
    bromobenzene 0.2
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 2.69
    2-methyl-cyclohexyl acetate 0.35
    tetrabutyl urea 1.02
    diisobutyl methanol 0.16
    2-phenylethanol 0.7
    styrene 0.15
    dioctyl adipate 0.91
    dimethyl sulfate 6.56
    ethyl butyrate 0.36
    methyl lactate 3.96
    butyl lactate 1.69
    diethyl carbonate 0.25
    propanediol butyl ether 5.24
    triethyl orthoformate 0.5
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 2.05
    morpholine 10.18
    tert-butylamine 0.29
    n-dodecanol 0.42
    dimethoxymethane 15.01
    ethylene carbonate 1.42
    cyrene 4.79
    2-ethoxyethyl acetate 2.99
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 1.41
    dibutyl ether 0.71
    2,6-dimethyl-4-heptanol 0.16
    DEF 3.05
    dimethyl isosorbide 4.08
    tetrachloroethylene 1.8
    eugenol 2.27
    triacetin 2.44
    span 80 3.35
    1,4-butanediol 2.27
    1,1-dichloroethane 0.63
    2-methyl-1-pentanol 0.52
    methyl formate 7.56
    2-methyl-1-butanol 0.73
    n-decane 0.07
    butyronitrile 0.6
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.28
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.62
    tetrahydropyran 2.42
    tert-amyl methyl ether 0.63
    2,5,8-trioxanonane 6.7
    1-hexene 0.09
    2-isopropoxyethanol 3.73
    2,2,2-trifluoroethanol 4.85
    methyl butyrate 0.76

    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