Lappaol D

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  • Identifiers

    CAS number
    64855-01-2

    Molecular formula
    C31H36O10

    SMILES
    COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)O)C(CO)C(C4=CC(=C(C=C4)O)OC)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 58.86%
    Odorless 45.62%
    Sweet 44.61%
    Balsamic 39.3%
    Spicy 38.69%
    Creamy 31.23%
    Powdery 30.67%
    Milky 28.42%
    Phenolic 26.13%
    Floral 25.22%

     

    Flavor
    Bitter 82.7%
    Bland 37.06%
    Odorless 31.09%
    Sweet-like 23.94%
    Parsley 21.09%
    Cedarleaf 20.39%
    Eugenol 19.63%
    Lovage 19.6%
    Mild 19.51%
    Ethyl benzoate 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.56 (weak base)

    Molecular weight
    568.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1802°C

    Flash point

    • 233.67 ˚C est.

  • Synonyms

    • Lappaol D
    • UNII-FTI1E186L5
    • FTI1E186L5
    • 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl)-5-methoxyphenyl)methyl)-
    • 64855-01-2
    • RefChem:152359
    • 64855-01-2

  • Applications

    Lappaol D (CAS 64855-01-2) is a plant-derived compound typically considered as a synthetic-building block and a subject for formulation research across multiple industries. Representative applications include: (1) serving as an intermediate for chemical synthesis and the development of derivatives; (2) evaluated as an odorant or fragrance fixative in perfumery research; (3) a potential ingredient in cosmetics and personal care as a fragrance precursor or formulation component; (4) a specialty additive for coatings, paints, and inks in formulation development; (5) may be used as a solvent or co-solvent in cleaning and industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.22
    methanol 2.84
    isopropanol 0.87
    water 0.05
    ethyl acetate 0.81
    n-propanol 1.22
    acetone 3.49
    n-butanol 0.81
    acetonitrile 0.78
    DMF 14.07
    toluene 0.25
    isobutanol 0.59
    1,4-dioxane 4.98
    methyl acetate 1.38
    THF 11.19
    2-butanone 2.13
    n-pentanol 0.68
    sec-butanol 0.72
    n-hexane 0.02
    ethylene glycol 2.05
    NMP 10.17
    cyclohexane 0.03
    DMSO 34.52
    n-butyl acetate 0.31
    n-octanol 0.83
    chloroform 2.99
    n-propyl acetate 0.49
    acetic acid 7.16
    dichloromethane 2.5
    cyclohexanone 3.15
    propylene glycol 1.87
    isopropyl acetate 0.58
    DMAc 16.81
    2-ethoxyethanol 4.97
    isopentanol 0.52
    n-heptane 0.03
    ethyl formate 1.16
    1,2-dichloroethane 1.27
    n-hexanol 0.39
    2-methoxyethanol 8.38
    isobutyl acetate 0.26
    tetrachloromethane 0.29
    n-pentyl acetate 1.22
    transcutol 6.73
    n-heptanol 0.84
    ethylbenzene 0.14
    MIBK 0.69
    2-propoxyethanol 3.67
    tert-butanol 0.79
    MTBE 0.53
    2-butoxyethanol 3.65
    propionic acid 1.99
    o-xylene 0.19
    formic acid 6.05
    diethyl ether 0.69
    m-xylene 0.16
    p-xylene 0.16
    chlorobenzene 0.3
    dimethyl carbonate 2.35
    n-octane 0.03
    formamide 6.37
    cyclopentanone 5.88
    2-pentanone 1.45
    anisole 0.63
    cyclopentyl methyl ether 1.2
    gamma-butyrolactone 6.25
    1-methoxy-2-propanol 5.11
    pyridine 2.34
    3-pentanone 1.15
    furfural 4.89
    n-dodecane 0.03
    diethylene glycol 4.14
    diisopropyl ether 0.13
    tert-amyl alcohol 0.7
    acetylacetone 2.92
    n-hexadecane 0.03
    acetophenone 0.87
    methyl propionate 1.5
    isopentyl acetate 0.32
    trichloroethylene 3.63
    n-nonanol 0.93
    cyclohexanol 0.65
    benzyl alcohol 1.0
    2-ethylhexanol 0.22
    isooctanol 0.58
    dipropyl ether 0.5
    1,2-dichlorobenzene 0.37
    ethyl lactate 0.98
    propylene carbonate 1.49
    n-methylformamide 5.54
    2-pentanol 0.38
    n-pentane 0.02
    1-propoxy-2-propanol 1.99
    1-methoxy-2-propyl acetate 1.15
    2-(2-methoxypropoxy) propanol 2.85
    mesitylene 0.08
    ε-caprolactone 2.48
    p-cymene 0.1
    epichlorohydrin 6.56
    1,1,1-trichloroethane 0.56
    2-aminoethanol 2.36
    morpholine-4-carbaldehyde 10.88
    sulfolane 14.03
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.77
    n-hexyl acetate 1.26
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.94
    sec-butyl acetate 0.27
    tert-butyl acetate 0.72
    decalin 0.02
    glycerin 5.2
    diglyme 7.18
    acrylic acid 3.28
    isopropyl myristate 0.41
    n-butyric acid 1.67
    acetyl acetate 0.97
    di(2-ethylhexyl) phthalate 0.68
    ethyl propionate 0.54
    nitromethane 11.46
    1,2-diethoxyethane 1.61
    benzonitrile 0.57
    trioctyl phosphate 0.54
    1-bromopropane 0.36
    gamma-valerolactone 13.3
    n-decanol 0.54
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.23
    propionitrile 0.72
    vinylene carbonate 1.95
    1,1,2-trichlorotrifluoroethane 11.94
    DMS 1.15
    cumene 0.1
    2-octanol 0.53
    2-hexanone 0.8
    octyl acetate 0.71
    limonene 0.13
    1,2-dimethoxyethane 5.75
    ethyl orthosilicate 0.37
    tributyl phosphate 0.45
    diacetone alcohol 2.03
    N,N-dimethylaniline 0.55
    acrylonitrile 1.44
    aniline 0.67
    1,3-propanediol 2.92
    bromobenzene 0.25
    dibromomethane 1.06
    1,1,2,2-tetrachloroethane 2.95
    2-methyl-cyclohexyl acetate 0.4
    tetrabutyl urea 0.92
    diisobutyl methanol 0.15
    2-phenylethanol 0.66
    styrene 0.16
    dioctyl adipate 0.82
    dimethyl sulfate 5.61
    ethyl butyrate 0.37
    methyl lactate 2.93
    butyl lactate 1.46
    diethyl carbonate 0.27
    propanediol butyl ether 3.56
    triethyl orthoformate 0.52
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.89
    morpholine 5.51
    tert-butylamine 0.23
    n-dodecanol 0.33
    dimethoxymethane 8.36
    ethylene carbonate 1.35
    cyrene 3.81
    2-ethoxyethyl acetate 2.6
    2-ethylhexyl acetate 0.24
    1,2,4-trichlorobenzene 0.61
    4-methylpyridine 1.24
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.15
    DEF 2.42
    dimethyl isosorbide 3.36
    tetrachloroethylene 2.08
    eugenol 1.95
    triacetin 2.24
    span 80 2.5
    1,4-butanediol 1.35
    1,1-dichloroethane 0.67
    2-methyl-1-pentanol 0.45
    methyl formate 4.68
    2-methyl-1-butanol 0.57
    n-decane 0.06
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.27
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.07
    tetrahydropyran 1.6
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 4.84
    1-hexene 0.09
    2-isopropoxyethanol 2.48
    2,2,2-trifluoroethanol 3.76
    methyl butyrate 0.71

    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