Lansiumarin B

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  • Identifiers

    CAS number
    205115-74-8

    Molecular formula
    C21H22O6

    SMILES
    C/C(=C\COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C/C=C/C(C)(C)OO

    Safety labels

  • Odor profile

    Fragrance
    Floral 50.5%
    Fruity 43.48%
    Sweet 29.59%
    Woody 26.29%
    Powdery 25.65%
    Spicy 24.34%
    Berry 23.65%
    Fresh 23.6%
    Dry 22.33%
    Tropical 20.47%

     

    Flavor
    Bitter 59.07%
    Fruity 19.96%
    Heather 19.67%
    Parsley 19.48%
    Broom 19.29%
    Genet 19.23%
    Ethyl benzoate 18.57%
    Lovage 18.39%
    Cedarleaf 18.3%
    Butyric 18.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.24 (weak base)

    Molecular weight
    370.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    690°C

    Flash point

    • 232.97 ˚C est.

  • Synonyms

    • Lansiumarin B
    • CHEBI:175760
    • DTXSID501117041
    • 205115-74-8
    • 9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]uro[3,2-g]chromen-7-one
    • 9-[[(2E,5E)-7-Hydroperoxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • 9-{[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one
    • 9-{[(2E,5E)-7-Hydroperoxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
    • 205115-74-8

  • Applications

    Lansiumarin B (CAS 205115-74-8) is a naturally occurring limonoid isolated from Lansium parasiticum seeds. In practice, it is viewed as a research chemical and synthetic lead: it serves as a reference compound in natural product isolation and as a starting point for derivatization of limonoids; it is explored as an insect antifeedant or pest-management lead in agriculture; it is investigated as a potential lead or intermediate in pharmaceutical and agrochemical discovery; and it may be considered as a botanical active in cosmetics research. Any actual use would be subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.33
    methanol 16.93
    isopropanol 11.87
    water 0.01
    ethyl acetate 44.56
    n-propanol 20.19
    acetone 48.21
    n-butanol 19.85
    acetonitrile 20.37
    DMF 44.69
    toluene 35.16
    isobutanol 15.49
    1,4-dioxane 56.43
    methyl acetate 54.47
    THF 149.11
    2-butanone 73.19
    n-pentanol 21.56
    sec-butanol 22.9
    n-hexane 0.61
    ethylene glycol 3.47
    NMP 52.91
    cyclohexane 1.4
    DMSO 88.52
    n-butyl acetate 20.38
    n-octanol 7.38
    chloroform 214.41
    n-propyl acetate 31.1
    acetic acid 56.78
    dichloromethane 230.32
    cyclohexanone 80.52
    propylene glycol 8.06
    isopropyl acetate 27.39
    DMAc 157.21
    2-ethoxyethanol 53.1
    isopentanol 21.27
    n-heptane 0.64
    ethyl formate 19.15
    1,2-dichloroethane 86.24
    n-hexanol 13.16
    2-methoxyethanol 56.19
    isobutyl acetate 20.71
    tetrachloromethane 6.62
    n-pentyl acetate 19.93
    transcutol 191.36
    n-heptanol 9.64
    ethylbenzene 13.26
    MIBK 26.45
    2-propoxyethanol 46.84
    tert-butanol 15.72
    MTBE 20.37
    2-butoxyethanol 30.65
    propionic acid 32.08
    o-xylene 14.52
    formic acid 15.71
    diethyl ether 21.45
    m-xylene 13.17
    p-xylene 17.18
    chlorobenzene 30.61
    dimethyl carbonate 27.83
    n-octane 0.42
    formamide 27.97
    cyclopentanone 74.49
    2-pentanone 40.4
    anisole 36.93
    cyclopentyl methyl ether 37.81
    gamma-butyrolactone 73.28
    1-methoxy-2-propanol 44.98
    pyridine 90.89
    3-pentanone 42.43
    furfural 64.05
    n-dodecane 0.51
    diethylene glycol 29.21
    diisopropyl ether 5.19
    tert-amyl alcohol 24.76
    acetylacetone 54.03
    n-hexadecane 0.6
    acetophenone 42.38
    methyl propionate 43.98
    isopentyl acetate 24.0
    trichloroethylene 207.7
    n-nonanol 9.16
    cyclohexanol 24.44
    benzyl alcohol 36.61
    2-ethylhexanol 9.91
    isooctanol 9.73
    dipropyl ether 11.2
    1,2-dichlorobenzene 27.46
    ethyl lactate 21.1
    propylene carbonate 37.41
    n-methylformamide 20.91
    2-pentanol 14.3
    n-pentane 0.56
    1-propoxy-2-propanol 31.1
    1-methoxy-2-propyl acetate 39.46
    2-(2-methoxypropoxy) propanol 47.63
    mesitylene 5.69
    ε-caprolactone 66.32
    p-cymene 6.29
    epichlorohydrin 140.23
    1,1,1-trichloroethane 43.52
    2-aminoethanol 10.0
    morpholine-4-carbaldehyde 85.57
    sulfolane 82.13
    2,2,4-trimethylpentane 0.88
    2-methyltetrahydrofuran 64.52
    n-hexyl acetate 22.88
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 53.29
    sec-butyl acetate 24.81
    tert-butyl acetate 28.66
    decalin 1.21
    glycerin 16.16
    diglyme 103.79
    acrylic acid 33.01
    isopropyl myristate 10.5
    n-butyric acid 36.09
    acetyl acetate 31.9
    di(2-ethylhexyl) phthalate 16.87
    ethyl propionate 30.34
    nitromethane 91.51
    1,2-diethoxyethane 41.7
    benzonitrile 27.99
    trioctyl phosphate 9.05
    1-bromopropane 35.23
    gamma-valerolactone 111.97
    n-decanol 6.97
    triethyl phosphate 16.92
    4-methyl-2-pentanol 9.77
    propionitrile 23.34
    vinylene carbonate 39.39
    1,1,2-trichlorotrifluoroethane 84.53
    DMS 33.53
    cumene 7.54
    2-octanol 6.38
    2-hexanone 37.45
    octyl acetate 14.26
    limonene 8.38
    1,2-dimethoxyethane 74.88
    ethyl orthosilicate 16.11
    tributyl phosphate 12.23
    diacetone alcohol 41.58
    N,N-dimethylaniline 23.58
    acrylonitrile 31.24
    aniline 40.34
    1,3-propanediol 20.04
    bromobenzene 33.62
    dibromomethane 107.66
    1,1,2,2-tetrachloroethane 134.72
    2-methyl-cyclohexyl acetate 25.18
    tetrabutyl urea 18.76
    diisobutyl methanol 6.22
    2-phenylethanol 29.09
    styrene 16.86
    dioctyl adipate 23.28
    dimethyl sulfate 44.66
    ethyl butyrate 19.76
    methyl lactate 23.9
    butyl lactate 21.75
    diethyl carbonate 16.38
    propanediol butyl ether 24.68
    triethyl orthoformate 19.4
    p-tert-butyltoluene 5.53
    methyl 4-tert-butylbenzoate 32.61
    morpholine 71.17
    tert-butylamine 7.36
    n-dodecanol 5.25
    dimethoxymethane 56.61
    ethylene carbonate 32.66
    cyrene 46.31
    2-ethoxyethyl acetate 44.0
    2-ethylhexyl acetate 18.75
    1,2,4-trichlorobenzene 40.44
    4-methylpyridine 60.24
    dibutyl ether 11.41
    2,6-dimethyl-4-heptanol 6.22
    DEF 47.64
    dimethyl isosorbide 68.19
    tetrachloroethylene 71.68
    eugenol 35.79
    triacetin 42.57
    span 80 30.88
    1,4-butanediol 10.09
    1,1-dichloroethane 59.29
    2-methyl-1-pentanol 26.48
    methyl formate 17.83
    2-methyl-1-butanol 23.43
    n-decane 0.84
    butyronitrile 18.49
    3,7-dimethyl-1-octanol 9.88
    1-chlorooctane 4.85
    1-chlorotetradecane 2.15
    n-nonane 0.63
    undecane 0.64
    tert-butylcyclohexane 0.88
    cyclooctane 0.48
    cyclopentanol 21.17
    tetrahydropyran 52.62
    tert-amyl methyl ether 21.67
    2,5,8-trioxanonane 75.44
    1-hexene 4.75
    2-isopropoxyethanol 38.65
    2,2,2-trifluoroethanol 16.9
    methyl butyrate 34.48

    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