Furopelargone A

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1143-45-9

    Molecular formula
    C15H22O2

    SMILES
    C[C@H]1CC[C@H]([C@H]1C2=C(C=CO2)C(C)C)C(=O)C

    Retention indicies (RI)

    • DB5: 1540.0

  • Odor profile

    Herbal 58.85%
    Woody 58.7%
    Green 51.71%
    Mint 46.23%
    Fresh 39.98%
    Floral 38.9%
    Earthy 36.01%
    Spicy 35.41%
    Leafy 32.74%
    Cooling 28.83%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point est.
    130.92 ˚C

  • Synonyms

    • Furopelargone A
    • 1143-45-9
    • 1-[(1R,2S,3S)-3-methyl-2-(3-propan-2-ylfuran-2-yl)cyclopentyl]ethanone
    • Ethanone, 1-(3-methyl-2-(3-(1-methylethyl)-2-furanyl)cyclopentyl)-, (1R-(1alpha,2beta,3beta))-
    • 1-[(1R)-3alpha-Methyl-2alpha-(3-isopropylfuran-2-yl)cyclopentan-1beta-yl]ethanone
    • DTXSID20150692

  • Applications

    Furopelargone A (CAS 1143-45-9) is a plant‑derived secondary metabolite used primarily in research as: a reference standard for developing/validating LC–MS/NMR methods and for quality control of botanical materials; a chemotaxonomic marker to support source authentication and comparative metabolism studies; a structural scaffold for semisynthesis and structure–activity relationship work, and for in‑vitro bioactivity screening (e.g., with bacteria, fungi, enzymes, or cultured cells) to guide discovery of drug and biopesticide leads; a tool compound in metabolomics (retention‑time calibration, spectral‑library curation, and identification‑algorithm tuning); a model substance for extraction, solubility–stability, encapsulation, and delivery studies in formulation science; and a teaching aid for laboratory training in natural‑product isolation and characterization; note that any therapeutic, diagnostic, or pesticidal use requires appropriate safety/efficacy evaluation and regulatory approval.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 943.17
    methanol 983.87
    isopropanol 1023.88
    water 0.87
    ethyl acetate 736.66
    n-propanol 971.42
    acetone 1150.72
    n-butanol 1020.68
    acetonitrile 820.65
    DMF 1143.69
    toluene 1251.19
    isobutanol 922.2
    1,4-dioxane 1604.85
    methyl acetate 790.67
    THF 2290.61
    2-butanone 1196.08
    n-pentanol 607.59
    sec-butanol 922.36
    n-hexane 72.35
    ethylene glycol 104.37
    NMP 914.71
    cyclohexane 226.68
    DMSO 577.24
    n-butyl acetate 661.14
    n-octanol 308.65
    chloroform 4700.12
    n-propyl acetate 525.9
    acetic acid 554.12
    dichloromethane 3538.97
    cyclohexanone 1741.79
    propylene glycol 218.92
    isopropyl acetate 507.7
    DMAc 857.34
    2-ethoxyethanol 532.03
    isopentanol 848.8
    n-heptane 37.62
    ethyl formate 641.94
    1,2-dichloroethane 1624.18
    n-hexanol 679.69
    2-methoxyethanol 860.15
    isobutyl acetate 438.61
    tetrachloromethane 565.78
    n-pentyl acetate 460.69
    transcutol 1135.47
    n-heptanol 317.15
    ethylbenzene 537.23
    MIBK 517.98
    2-propoxyethanol 777.35
    tert-butanol 827.66
    MTBE 790.05
    2-butoxyethanol 474.14
    propionic acid 527.14
    o-xylene 550.74
    formic acid 123.64
    diethyl ether 760.82
    m-xylene 649.65
    p-xylene 695.71
    chlorobenzene 1274.44
    dimethyl carbonate 245.11
    n-octane 26.17
    formamide 211.26
    cyclopentanone 1704.13
    2-pentanone 888.62
    anisole 696.73
    cyclopentyl methyl ether 842.23
    gamma-butyrolactone 1449.08
    1-methoxy-2-propanol 682.41
    pyridine 1938.8
    3-pentanone 633.13
    furfural 1207.29
    n-dodecane 24.96
    diethylene glycol 426.0
    diisopropyl ether 205.61
    tert-amyl alcohol 682.04
    acetylacetone 732.58
    n-hexadecane 29.89
    acetophenone 635.6
    methyl propionate 540.71
    isopentyl acetate 630.12
    trichloroethylene 3212.69
    n-nonanol 268.83
    cyclohexanol 1061.57
    benzyl alcohol 711.0
    2-ethylhexanol 351.84
    isooctanol 268.04
    dipropyl ether 253.12
    1,2-dichlorobenzene 862.75
    ethyl lactate 224.79
    propylene carbonate 857.2
    n-methylformamide 518.49
    2-pentanol 641.6
    n-pentane 79.22
    1-propoxy-2-propanol 498.63
    1-methoxy-2-propyl acetate 506.0
    2-(2-methoxypropoxy) propanol 362.66
    mesitylene 313.84
    ε-caprolactone 1254.62
    p-cymene 226.19
    epichlorohydrin 1724.42
    1,1,1-trichloroethane 1614.15
    2-aminoethanol 296.31
    morpholine-4-carbaldehyde 947.9
    sulfolane 982.72
    2,2,4-trimethylpentane 58.8
    2-methyltetrahydrofuran 1550.67
    n-hexyl acetate 637.79
    isooctane 41.04
    2-(2-butoxyethoxy)ethanol 499.91
    sec-butyl acetate 391.87
    tert-butyl acetate 450.06
    decalin 94.85
    glycerin 226.98
    diglyme 824.36
    acrylic acid 418.98
    isopropyl myristate 211.1
    n-butyric acid 929.1
    acetyl acetate 459.22
    di(2-ethylhexyl) phthalate 243.62
    ethyl propionate 383.87
    nitromethane 735.69
    1,2-diethoxyethane 475.5
    benzonitrile 985.89
    trioctyl phosphate 159.66
    1-bromopropane 1136.19
    gamma-valerolactone 1675.44
    n-decanol 190.37
    triethyl phosphate 167.06
    4-methyl-2-pentanol 343.6
    propionitrile 841.86
    vinylene carbonate 864.42
    1,1,2-trichlorotrifluoroethane 860.07
    DMS 442.02
    cumene 298.1
    2-octanol 252.29
    2-hexanone 608.91
    octyl acetate 292.52
    limonene 282.13
    1,2-dimethoxyethane 934.63
    ethyl orthosilicate 165.97
    tributyl phosphate 190.61
    diacetone alcohol 453.11
    N,N-dimethylaniline 401.04
    acrylonitrile 890.53
    aniline 1068.87
    1,3-propanediol 523.92
    bromobenzene 1436.27
    dibromomethane 2400.12
    1,1,2,2-tetrachloroethane 2377.91
    2-methyl-cyclohexyl acetate 343.47
    tetrabutyl urea 236.15
    diisobutyl methanol 173.18
    2-phenylethanol 637.87
    styrene 678.62
    dioctyl adipate 288.85
    dimethyl sulfate 289.55
    ethyl butyrate 373.82
    methyl lactate 254.7
    butyl lactate 331.47
    diethyl carbonate 257.51
    propanediol butyl ether 428.78
    triethyl orthoformate 249.99
    p-tert-butyltoluene 196.85
    methyl 4-tert-butylbenzoate 388.47
    morpholine 1777.38
    tert-butylamine 513.11
    n-dodecanol 141.36
    dimethoxymethane 650.08
    ethylene carbonate 750.32
    cyrene 398.24
    2-ethoxyethyl acetate 535.53
    2-ethylhexyl acetate 488.78
    1,2,4-trichlorobenzene 1019.21
    4-methylpyridine 1942.83
    dibutyl ether 296.08
    2,6-dimethyl-4-heptanol 173.18
    DEF 673.62
    dimethyl isosorbide 579.53
    tetrachloroethylene 1498.06
    eugenol 407.32
    triacetin 428.58
    span 80 359.7
    1,4-butanediol 246.63
    1,1-dichloroethane 1918.71
    2-methyl-1-pentanol 607.6
    methyl formate 442.43
    2-methyl-1-butanol 852.41
    n-decane 46.1
    butyronitrile 1031.01
    3,7-dimethyl-1-octanol 286.13
    1-chlorooctane 229.63
    1-chlorotetradecane 82.95
    n-nonane 42.79
    undecane 31.94
    tert-butylcyclohexane 79.69
    cyclooctane 55.51
    cyclopentanol 961.56
    tetrahydropyran 1988.19
    tert-amyl methyl ether 479.53
    2,5,8-trioxanonane 522.86
    1-hexene 363.86
    2-isopropoxyethanol 427.98
    2,2,2-trifluoroethanol 196.09
    methyl butyrate 606.18

    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

Botanical

Name CAS Botanical Proportion
Ayou Aydendron barbeyana Mez. (Nectandra globosa Mez.), fam. Lauraceae 2.8%
Geranium (Algeria) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.23%
Geranium, Bourbon 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.37%
Geranium (China) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.59%
Geranium (Egypt) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.24%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.1%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.24%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 0.1%