Lansiumarin A

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  • Identifiers

    CAS number
    205115-73-7

    Molecular formula
    C21H20O5

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 66.15%
    Berry 37.9%
    Caramellic 37.45%
    Woody 32.2%
    Floral 32.05%
    Dry 29.37%
    Burnt 26.01%
    Raspberry 25.86%
    Grape 25.53%
    Roasted 25.28%

     

    Flavor
    Bitter 64.26%
    Lovage 20.16%
    Parsley 19.74%
    Odorless 19.48%
    Heather 19.4%
    Broom 19.37%
    Cedarleaf 19.29%
    Genet 19.22%
    Basil 18.81%
    Leaves 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.92 (neutral)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    506°C

    Flash point

    • 233.2 ˚C est.

  • Synonyms

    • Lansiumarin A
    • 205115-73-7
    • 9-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]furo[3,2-g]chromen-7-one
    • 9-{[(2E)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one
    • 9-((2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy)furo(3,2-g)chromen-7-one
    • 9-(((2E)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl)oxy)-2H-furo(3,2-g)chromen-2-one
    • RefChem:152307
    • orb2279398
    • CHEBI:175510
    • DTXSID001317787
    • AKOS040735388
    • 9-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]uro[3,2-g]chromen-7-one
    • 9-{[(2E)-3,7-Dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
    • 205115-73-7

  • Applications

    Lansiumarin A (CAS 205115-73-7) is a natural limonoid isolated from Lansium species (langsat) and is primarily of interest as a research chemical and synthetic intermediate. In industrial contexts, it is typically used as: a scaffold for modification and derivatization of limonoid frameworks in medicinal chemistry and agrochemical R&D; an analytical reference material and quality-control standard for natural-product analysis and QC; a lead-like template for exploratory biological activity studies in early-stage pharmacology or crop-protection research; a candidate for fragrance research as a potential odor-active constituent or fragrance precursor under formulation constraints; and a starting point for derivative synthesis to explore structure–activity relationships in academic and industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.02
    methanol 26.03
    isopropanol 23.19
    water 0.02
    ethyl acetate 55.51
    n-propanol 34.49
    acetone 70.44
    n-butanol 35.68
    acetonitrile 23.52
    DMF 55.93
    toluene 59.84
    isobutanol 24.22
    1,4-dioxane 64.46
    methyl acetate 64.24
    THF 183.92
    2-butanone 110.35
    n-pentanol 34.33
    sec-butanol 41.15
    n-hexane 1.02
    ethylene glycol 4.62
    NMP 45.26
    cyclohexane 2.52
    DMSO 95.7
    n-butyl acetate 24.71
    n-octanol 7.94
    chloroform 141.62
    n-propyl acetate 34.81
    acetic acid 58.01
    dichloromethane 163.23
    cyclohexanone 104.55
    propylene glycol 9.55
    isopropyl acetate 34.69
    DMAc 179.35
    2-ethoxyethanol 65.34
    isopentanol 35.44
    n-heptane 0.81
    ethyl formate 22.58
    1,2-dichloroethane 81.04
    n-hexanol 19.61
    2-methoxyethanol 72.38
    isobutyl acetate 22.27
    tetrachloromethane 7.22
    n-pentyl acetate 20.85
    transcutol 158.63
    n-heptanol 11.61
    ethylbenzene 18.56
    MIBK 34.6
    2-propoxyethanol 46.33
    tert-butanol 26.54
    MTBE 27.71
    2-butoxyethanol 29.28
    propionic acid 35.29
    o-xylene 23.51
    formic acid 15.13
    diethyl ether 34.52
    m-xylene 19.93
    p-xylene 23.99
    chlorobenzene 34.68
    dimethyl carbonate 25.01
    n-octane 0.6
    formamide 29.03
    cyclopentanone 85.39
    2-pentanone 60.67
    anisole 35.42
    cyclopentyl methyl ether 46.14
    gamma-butyrolactone 70.59
    1-methoxy-2-propanol 54.8
    pyridine 115.49
    3-pentanone 58.78
    furfural 64.0
    n-dodecane 0.66
    diethylene glycol 29.92
    diisopropyl ether 7.54
    tert-amyl alcohol 38.02
    acetylacetone 65.55
    n-hexadecane 0.77
    acetophenone 45.36
    methyl propionate 46.89
    isopentyl acetate 27.86
    trichloroethylene 157.06
    n-nonanol 9.88
    cyclohexanol 40.33
    benzyl alcohol 45.79
    2-ethylhexanol 11.66
    isooctanol 11.18
    dipropyl ether 11.0
    1,2-dichlorobenzene 26.89
    ethyl lactate 18.22
    propylene carbonate 37.06
    n-methylformamide 23.44
    2-pentanol 26.01
    n-pentane 1.1
    1-propoxy-2-propanol 28.28
    1-methoxy-2-propyl acetate 37.53
    2-(2-methoxypropoxy) propanol 40.71
    mesitylene 8.06
    ε-caprolactone 74.48
    p-cymene 7.65
    epichlorohydrin 124.26
    1,1,1-trichloroethane 41.87
    2-aminoethanol 12.89
    morpholine-4-carbaldehyde 72.6
    sulfolane 70.8
    2,2,4-trimethylpentane 1.32
    2-methyltetrahydrofuran 79.61
    n-hexyl acetate 22.51
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 48.76
    sec-butyl acetate 29.11
    tert-butyl acetate 32.76
    decalin 1.78
    glycerin 17.84
    diglyme 89.85
    acrylic acid 30.58
    isopropyl myristate 11.12
    n-butyric acid 47.26
    acetyl acetate 34.68
    di(2-ethylhexyl) phthalate 15.38
    ethyl propionate 31.71
    nitromethane 83.16
    1,2-diethoxyethane 43.18
    benzonitrile 33.96
    trioctyl phosphate 9.24
    1-bromopropane 40.49
    gamma-valerolactone 119.81
    n-decanol 7.83
    triethyl phosphate 15.37
    4-methyl-2-pentanol 14.91
    propionitrile 29.29
    vinylene carbonate 36.91
    1,1,2-trichlorotrifluoroethane 64.04
    DMS 29.15
    cumene 10.1
    2-octanol 8.13
    2-hexanone 47.13
    octyl acetate 14.34
    limonene 9.41
    1,2-dimethoxyethane 88.19
    ethyl orthosilicate 15.37
    tributyl phosphate 12.56
    diacetone alcohol 48.61
    N,N-dimethylaniline 23.11
    acrylonitrile 34.36
    aniline 56.68
    1,3-propanediol 29.66
    bromobenzene 33.72
    dibromomethane 87.37
    1,1,2,2-tetrachloroethane 103.52
    2-methyl-cyclohexyl acetate 22.89
    tetrabutyl urea 19.1
    diisobutyl methanol 7.73
    2-phenylethanol 32.4
    styrene 23.59
    dioctyl adipate 20.55
    dimethyl sulfate 34.45
    ethyl butyrate 20.49
    methyl lactate 20.59
    butyl lactate 19.88
    diethyl carbonate 15.61
    propanediol butyl ether 22.41
    triethyl orthoformate 18.11
    p-tert-butyltoluene 6.71
    methyl 4-tert-butylbenzoate 28.13
    morpholine 89.58
    tert-butylamine 12.58
    n-dodecanol 6.15
    dimethoxymethane 62.85
    ethylene carbonate 31.56
    cyrene 36.53
    2-ethoxyethyl acetate 41.26
    2-ethylhexyl acetate 20.92
    1,2,4-trichlorobenzene 36.27
    4-methylpyridine 81.72
    dibutyl ether 12.76
    2,6-dimethyl-4-heptanol 7.73
    DEF 54.35
    dimethyl isosorbide 52.51
    tetrachloroethylene 61.97
    eugenol 32.0
    triacetin 33.62
    span 80 27.02
    1,4-butanediol 14.86
    1,1-dichloroethane 58.95
    2-methyl-1-pentanol 38.8
    methyl formate 19.14
    2-methyl-1-butanol 38.27
    n-decane 1.03
    butyronitrile 26.07
    3,7-dimethyl-1-octanol 10.89
    1-chlorooctane 5.13
    1-chlorotetradecane 2.59
    n-nonane 0.77
    undecane 0.8
    tert-butylcyclohexane 1.35
    cyclooctane 0.75
    cyclopentanol 29.8
    tetrahydropyran 74.95
    tert-amyl methyl ether 27.53
    2,5,8-trioxanonane 66.22
    1-hexene 8.46
    2-isopropoxyethanol 43.69
    2,2,2-trifluoroethanol 17.63
    methyl butyrate 37.82

    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