Lansioside B

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  • Identifiers

    CAS number
    87453-34-7

    Molecular formula
    C36H58O8

    SMILES
    CC1=CCC(C(C1CCC2C(=C)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)(C)CCC(=O)O)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.11%
    Amber 40.33%
    Spicy 36.76%
    Dry 36.32%
    Balsamic 33.62%
    Sweet 33.41%
    Sandalwood 32.98%
    Cedar 30.24%
    Odorless 28.68%
    Musk 27.24%

     

    Flavor
    Woody 42.54%
    Bitter 37.12%
    Herbal 29.54%
    Balsam 26.86%
    Pine 25.0%
    Minty 23.88%
    Fresh 23.43%
    Wood 22.07%
    Cedarleaf 21.77%
    Sandalwood 21.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    4.83 (weak acid)

    Molecular weight
    618.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    286°C

    Flash point

    • 247.55 ˚C est.

  • Synonyms

    • Lansioside B
    • SCHEMBL29934677
    • CHEBI:169861
    • DTXSID201317864
    • 3-[2-[2-[5,5,8a-trimethyl-2-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
    • 3-[2-{2-[6-(Hexopyranosyloxy)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid
    • 87453-34-7
    • 87453-34-7

  • Applications

    Lansioside B, a natural glycoside, is primarily encountered in research and development contexts where it is typically used as an intermediate or lead compound in natural-product synthesis and structure-activity investigations; it serves as a reference material for analytical method development and isolation workflows in natural-product chemistry; its glycoside framework offers potential for exploration as a fragrance or flavor precursor or as a component in cosmetic and personal-care formulation research; and it may be evaluated as a scaffold for bioactive studies or as a tool compound in pharmaceutical research, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.99
    methanol 40.41
    isopropanol 3.2
    water 0.04
    ethyl acetate 4.7
    n-propanol 8.49
    acetone 5.96
    n-butanol 4.58
    acetonitrile 1.15
    DMF 46.96
    toluene 1.41
    isobutanol 3.02
    1,4-dioxane 17.29
    methyl acetate 4.22
    THF 46.37
    2-butanone 5.82
    n-pentanol 2.55
    sec-butanol 2.59
    n-hexane 0.08
    ethylene glycol 4.3
    NMP 53.3
    cyclohexane 0.11
    DMSO 37.84
    n-butyl acetate 2.07
    n-octanol 1.71
    chloroform 8.61
    n-propyl acetate 1.98
    acetic acid 31.05
    dichloromethane 7.08
    cyclohexanone 8.1
    propylene glycol 7.98
    isopropyl acetate 3.05
    DMAc 44.39
    2-ethoxyethanol 21.69
    isopentanol 2.3
    n-heptane 0.1
    ethyl formate 4.39
    1,2-dichloroethane 3.89
    n-hexanol 2.33
    2-methoxyethanol 54.22
    isobutyl acetate 1.13
    tetrachloromethane 1.08
    n-pentyl acetate 3.64
    transcutol 44.49
    n-heptanol 2.58
    ethylbenzene 0.55
    MIBK 2.58
    2-propoxyethanol 27.46
    tert-butanol 2.03
    MTBE 1.97
    2-butoxyethanol 17.8
    propionic acid 7.34
    o-xylene 0.96
    formic acid 25.52
    diethyl ether 3.26
    m-xylene 1.0
    p-xylene 0.46
    chlorobenzene 1.38
    dimethyl carbonate 7.09
    n-octane 0.05
    formamide 20.89
    cyclopentanone 17.22
    2-pentanone 4.96
    anisole 2.65
    cyclopentyl methyl ether 7.96
    gamma-butyrolactone 23.07
    1-methoxy-2-propanol 31.61
    pyridine 8.39
    3-pentanone 3.79
    furfural 19.7
    n-dodecane 0.02
    diethylene glycol 19.65
    diisopropyl ether 0.57
    tert-amyl alcohol 2.13
    acetylacetone 8.21
    n-hexadecane 0.03
    acetophenone 3.12
    methyl propionate 6.99
    isopentyl acetate 2.0
    trichloroethylene 11.2
    n-nonanol 1.83
    cyclohexanol 2.26
    benzyl alcohol 3.65
    2-ethylhexanol 0.88
    isooctanol 1.65
    dipropyl ether 1.78
    1,2-dichlorobenzene 1.44
    ethyl lactate 3.3
    propylene carbonate 7.33
    n-methylformamide 23.84
    2-pentanol 1.7
    n-pentane 0.12
    1-propoxy-2-propanol 11.77
    1-methoxy-2-propyl acetate 8.56
    2-(2-methoxypropoxy) propanol 9.5
    mesitylene 0.47
    ε-caprolactone 10.95
    p-cymene 0.41
    epichlorohydrin 29.31
    1,1,1-trichloroethane 2.02
    2-aminoethanol 12.63
    morpholine-4-carbaldehyde 58.71
    sulfolane 41.21
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 9.13
    n-hexyl acetate 4.14
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.54
    sec-butyl acetate 1.3
    tert-butyl acetate 3.3
    decalin 0.07
    glycerin 20.76
    diglyme 33.79
    acrylic acid 10.09
    isopropyl myristate 0.7
    n-butyric acid 9.83
    acetyl acetate 3.72
    di(2-ethylhexyl) phthalate 1.7
    ethyl propionate 2.23
    nitromethane 26.47
    1,2-diethoxyethane 4.87
    benzonitrile 1.23
    trioctyl phosphate 1.17
    1-bromopropane 1.51
    gamma-valerolactone 51.48
    n-decanol 0.84
    triethyl phosphate 1.37
    4-methyl-2-pentanol 0.98
    propionitrile 1.4
    vinylene carbonate 7.86
    1,1,2-trichlorotrifluoroethane 36.7
    DMS 3.92
    cumene 0.37
    2-octanol 1.03
    2-hexanone 2.15
    octyl acetate 1.43
    limonene 0.6
    1,2-dimethoxyethane 19.66
    ethyl orthosilicate 1.39
    tributyl phosphate 0.98
    diacetone alcohol 7.75
    N,N-dimethylaniline 2.09
    acrylonitrile 2.61
    aniline 3.06
    1,3-propanediol 16.32
    bromobenzene 1.12
    dibromomethane 3.4
    1,1,2,2-tetrachloroethane 7.88
    2-methyl-cyclohexyl acetate 1.9
    tetrabutyl urea 1.61
    diisobutyl methanol 0.5
    2-phenylethanol 3.3
    styrene 0.56
    dioctyl adipate 1.82
    dimethyl sulfate 15.6
    ethyl butyrate 1.96
    methyl lactate 12.47
    butyl lactate 5.46
    diethyl carbonate 1.11
    propanediol butyl ether 13.88
    triethyl orthoformate 2.27
    p-tert-butyltoluene 0.45
    methyl 4-tert-butylbenzoate 6.84
    morpholine 26.84
    tert-butylamine 0.64
    n-dodecanol 0.4
    dimethoxymethane 37.49
    ethylene carbonate 5.44
    cyrene 14.44
    2-ethoxyethyl acetate 10.54
    2-ethylhexyl acetate 1.34
    1,2,4-trichlorobenzene 2.46
    4-methylpyridine 4.86
    dibutyl ether 0.87
    2,6-dimethyl-4-heptanol 0.5
    DEF 8.96
    dimethyl isosorbide 16.24
    tetrachloroethylene 6.08
    eugenol 7.52
    triacetin 7.14
    span 80 9.07
    1,4-butanediol 4.04
    1,1-dichloroethane 2.19
    2-methyl-1-pentanol 1.54
    methyl formate 15.22
    2-methyl-1-butanol 2.6
    n-decane 0.06
    butyronitrile 1.34
    3,7-dimethyl-1-octanol 1.07
    1-chlorooctane 0.47
    1-chlorotetradecane 0.09
    n-nonane 0.06
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.06
    cyclopentanol 4.22
    tetrahydropyran 6.83
    tert-amyl methyl ether 1.97
    2,5,8-trioxanonane 17.52
    1-hexene 0.33
    2-isopropoxyethanol 8.5
    2,2,2-trifluoroethanol 9.25
    methyl butyrate 2.97

    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