Peucedanin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    133-26-6

    Molecular formula
    C15H14O4

    SMILES
    CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 40.39%
    Sweet 39.41%
    Burnt 32.14%
    Phenolic 31.29%
    Nutty 30.89%
    Caramellic 30.73%
    Earthy 27.55%
    Musty 25.31%
    Animal 25.14%
    Roasted 24.85%

     

    Flavor
    Bitter 75.77%
    Parsley 20.9%
    Cedarleaf 20.48%
    Carrot 19.72%
    Green pepper 19.65%
    Lovage 19.35%
    Eugenol 19.22%
    Ripe apricot 19.11%
    Red fruit 18.92%
    Syrup 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.77 (neutral)

    Molecular weight
    258.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    407°C

    Flash point

    • 198.71 ˚C est.

  • Synonyms

    • Peucedanin
    • 133-26-6
    • Oreoselone methyl ether
    • 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin
    • 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
    • 3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one
    • N021633LOB
    • 6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactone
    • CHEBI:8034
    • DTXSID10157897
    • 2-isopropyl-3-methoxy-furo(3,2-g)chromen-7-one
    • 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one
    • 3-methoxy-2-propan-2-ylfuro(3,2-g)chromen-7-one
    • RefChem:547116
    • DTXCID9080388
    • Peutsedin
    • BRN 0234473
    • 2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-one
    • 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 3-methoxy-2-(1-methylethyl)-
    • UNII-N021633LOB
    • Spectrum_001546
    • PEUCEDANIN [MI]
    • SpecPlus_000952
    • Spectrum2_000729
    • Spectrum3_001647
    • Spectrum4_001666
    • Spectrum5_000571
    • 5-Benzofuranacrylic acid, 6-hydroxy-2-isopropyl-3-methoxy-, delta-lactone
    • Oprea1_190644
    • Oprea1_837278
    • BSPBio_003373
    • KBioGR_002191
    • KBioSS_002026
    • 5-19-06-00042 (Beilstein Handbook Reference)
    • MLS001049116
    • DivK1c_007048
    • SPECTRUM1504168
    • SPBio_000658
    • MEGxp0_001552
    • orb1984313
    • SCHEMBL2249089
    • CHEMBL1410943
    • SCHEMBL29352905
    • KBio1_001992
    • KBio2_002026
    • KBio2_004594
    • KBio2_007162
    • KBio3_002593
    • YQBNJPACAUPNLV-UHFFFAOYSA-
    • YQBNJPACAUPNLV-UHFFFAOYSA-N
    • HMS2675C08
    • 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2-ISOPROPYL-3-METHOXY-
    • CCG-40070
    • STK396320
    • AKOS000278122
    • SDCCGMLS-0066802.P001
    • NCGC00095695-01
    • NCGC00095695-02
    • 3-Methoxy-2-(1-methylethyl)-7 H -furo[3,2- g ][1]benzopyran-7-one; 2-Isopropyl-3-methoxy-7 H -furo[3,2- g ][1]benzopyran-7-one
    • SMR000102964
    • CL-381982
    • NS00094618
    • ST50909203
    • C09283
    • AB00053108-02
    • AG-690/12763027
    • 6-methoxy-7-(methylethyl)furano[3,2-g]chromen-2-one
    • BRD-K72034655-001-02-1
    • Q27107645
    • 7H-Furo3,2-g1benzopyran-7-one, 3-methoxy-2-(1-methylethyl)-
    • 3-Methoxy-2-(propan-2-yl)-7H-furo[3,2-g][1]benzopyran-7-one
    • 6-HYDROXY-2-ISOPROPYL-3-METHOXY-5-BENZOFURANACRYLIC ACID .GAMMA.-LACTONE
    • InChI=1/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
    • 133-26-6

  • Applications

    Peucedanin is a natural furanocoumarin used primarily as an intermediate in the synthesis of other furanocoumarin derivatives and related natural products. It serves as a research chemical to study photochemical and UV-sensitive reactions and as a reference material for analytical method development (LC‑MS/HPLC) when profiling plant extracts containing furanocoumarins. In medicinal chemistry research, peucedanin may be evaluated as a scaffold for designing new coumarin derivatives. It is also prepared or isolated from plant material for natural product chemistry workflows and for isolation and identification benchmarking.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.2
    methanol 24.34
    isopropanol 18.73
    water 0.16
    ethyl acetate 120.77
    n-propanol 21.76
    acetone 141.84
    n-butanol 24.16
    acetonitrile 63.57
    DMF 304.81
    toluene 52.94
    isobutanol 23.16
    1,4-dioxane 123.63
    methyl acetate 123.73
    THF 229.67
    2-butanone 105.57
    n-pentanol 27.91
    sec-butanol 24.72
    n-hexane 2.68
    ethylene glycol 12.9
    NMP 256.43
    cyclohexane 3.07
    DMSO 193.21
    n-butyl acetate 88.1
    n-octanol 18.94
    chloroform 271.65
    n-propyl acetate 98.69
    acetic acid 93.42
    dichloromethane 344.88
    cyclohexanone 156.22
    propylene glycol 10.63
    isopropyl acetate 78.99
    DMAc 257.14
    2-ethoxyethanol 77.52
    isopentanol 34.34
    n-heptane 2.31
    ethyl formate 69.36
    1,2-dichloroethane 220.45
    n-hexanol 33.9
    2-methoxyethanol 96.99
    isobutyl acetate 72.21
    tetrachloromethane 28.79
    n-pentyl acetate 73.19
    transcutol 161.18
    n-heptanol 23.64
    ethylbenzene 33.58
    MIBK 67.77
    2-propoxyethanol 94.64
    tert-butanol 34.13
    MTBE 48.67
    2-butoxyethanol 59.42
    propionic acid 60.72
    o-xylene 37.7
    formic acid 34.64
    diethyl ether 52.38
    m-xylene 41.53
    p-xylene 46.71
    chlorobenzene 102.23
    dimethyl carbonate 112.69
    n-octane 1.85
    formamide 72.5
    cyclopentanone 224.53
    2-pentanone 91.01
    anisole 77.65
    cyclopentyl methyl ether 99.21
    gamma-butyrolactone 284.42
    1-methoxy-2-propanol 75.91
    pyridine 138.01
    3-pentanone 87.05
    furfural 242.01
    n-dodecane 2.09
    diethylene glycol 93.43
    diisopropyl ether 20.36
    tert-amyl alcohol 39.28
    acetylacetone 163.4
    n-hexadecane 2.44
    acetophenone 100.13
    methyl propionate 121.49
    isopentyl acetate 82.51
    trichloroethylene 447.23
    n-nonanol 20.21
    cyclohexanol 42.27
    benzyl alcohol 72.37
    2-ethylhexanol 30.52
    isooctanol 23.53
    dipropyl ether 30.86
    1,2-dichlorobenzene 102.19
    ethyl lactate 60.01
    propylene carbonate 158.93
    n-methylformamide 95.16
    2-pentanol 22.29
    n-pentane 2.1
    1-propoxy-2-propanol 66.86
    1-methoxy-2-propyl acetate 113.64
    2-(2-methoxypropoxy) propanol 70.2
    mesitylene 22.28
    ε-caprolactone 150.67
    p-cymene 25.04
    epichlorohydrin 303.11
    1,1,1-trichloroethane 142.24
    2-aminoethanol 18.58
    morpholine-4-carbaldehyde 242.2
    sulfolane 295.96
    2,2,4-trimethylpentane 3.58
    2-methyltetrahydrofuran 124.97
    n-hexyl acetate 74.93
    isooctane 2.09
    2-(2-butoxyethoxy)ethanol 75.0
    sec-butyl acetate 68.21
    tert-butyl acetate 83.72
    decalin 4.8
    glycerin 30.27
    diglyme 149.61
    acrylic acid 79.55
    isopropyl myristate 29.1
    n-butyric acid 72.2
    acetyl acetate 100.22
    di(2-ethylhexyl) phthalate 40.29
    ethyl propionate 88.47
    nitromethane 209.56
    1,2-diethoxyethane 73.78
    benzonitrile 90.56
    trioctyl phosphate 27.03
    1-bromopropane 71.49
    gamma-valerolactone 263.62
    n-decanol 16.45
    triethyl phosphate 49.9
    4-methyl-2-pentanol 21.96
    propionitrile 55.0
    vinylene carbonate 171.43
    1,1,2-trichlorotrifluoroethane 182.89
    DMS 131.88
    cumene 25.55
    2-octanol 19.21
    2-hexanone 79.2
    octyl acetate 39.09
    limonene 29.63
    1,2-dimethoxyethane 141.8
    ethyl orthosilicate 44.31
    tributyl phosphate 35.57
    diacetone alcohol 85.18
    N,N-dimethylaniline 55.17
    acrylonitrile 92.79
    aniline 71.63
    1,3-propanediol 31.53
    bromobenzene 108.68
    dibromomethane 178.73
    1,1,2,2-tetrachloroethane 261.16
    2-methyl-cyclohexyl acetate 62.45
    tetrabutyl urea 44.43
    diisobutyl methanol 20.53
    2-phenylethanol 69.16
    styrene 41.98
    dioctyl adipate 46.23
    dimethyl sulfate 188.78
    ethyl butyrate 66.97
    methyl lactate 71.72
    butyl lactate 55.27
    diethyl carbonate 57.0
    propanediol butyl ether 45.48
    triethyl orthoformate 51.42
    p-tert-butyltoluene 22.22
    methyl 4-tert-butylbenzoate 80.96
    morpholine 120.45
    tert-butylamine 19.94
    n-dodecanol 13.39
    dimethoxymethane 164.78
    ethylene carbonate 133.69
    cyrene 95.57
    2-ethoxyethyl acetate 115.75
    2-ethylhexyl acetate 70.64
    1,2,4-trichlorobenzene 122.64
    4-methylpyridine 142.28
    dibutyl ether 28.18
    2,6-dimethyl-4-heptanol 20.53
    DEF 125.85
    dimethyl isosorbide 127.08
    tetrachloroethylene 181.53
    eugenol 79.75
    triacetin 98.26
    span 80 50.05
    1,4-butanediol 22.08
    1,1-dichloroethane 139.31
    2-methyl-1-pentanol 38.51
    methyl formate 110.83
    2-methyl-1-butanol 32.83
    n-decane 2.98
    butyronitrile 49.06
    3,7-dimethyl-1-octanol 22.62
    1-chlorooctane 17.1
    1-chlorotetradecane 8.31
    n-nonane 2.42
    undecane 2.46
    tert-butylcyclohexane 4.42
    cyclooctane 1.53
    cyclopentanol 45.5
    tetrahydropyran 82.29
    tert-amyl methyl ether 48.4
    2,5,8-trioxanonane 105.41
    1-hexene 14.65
    2-isopropoxyethanol 65.53
    2,2,2-trifluoroethanol 73.9
    methyl butyrate 108.93

    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