Ostruthin

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  • Identifiers

    CAS number
    148-83-4

    Molecular formula
    C19H22O3

    SMILES
    CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 64.71%
    Floral 35.53%
    Spicy 31.85%
    Sweet 29.81%
    Woody 27.41%
    Dry 25.22%
    Citrus 24.36%
    Balsamic 22.58%
    Herbal 22.53%
    Animal 22.53%

     

    Flavor
    Bitter 44.83%
    Woody 36.73%
    Herbal 33.1%
    Spicy 29.97%
    Spice 27.66%
    Wood 22.92%
    Balsam 21.22%
    Warm 21.21%
    Lovage 20.21%
    Diterpene 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    9.37 (weak base)

    Molecular weight
    298.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 191.51 ˚C est.

  • Synonyms

    • Ostruthin
    • 148-83-4
    • Ostruthine
    • 6-Geranyl-7-hydroxycoumarin
    • UNII-XHK3RR9BOR
    • XHK3RR9BOR
    • CCRIS 8087
    • CHEBI:69833
    • NSC83434
    • OSTRUTHIN [MI]
    • NSC 83434
    • NSC-83434
    • 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
    • 6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxycoumarin
    • Ostruthin imperatorin
    • (E)-6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxycoumarin
    • 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-chromen-2-one
    • (E)-6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxy-2H-1-benzopyran-2-one
    • 6-(3,7-DIMETHYL-2,6-OCTADIENYL)UMBELLIFERONE
    • Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-
    • 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-
    • 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- (9CI)
    • 6-((2E)-3,7-dimethylocta-2,6-dienyl)-7-hydroxy-chromen-2-one
    • 6-((2E)-3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one
    • 2H-1-BENZOPYRAN-2-ONE,6-[(2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL]-7-HYDROXY-
    • MEGxp0_001198
    • SCHEMBL2936116
    • SCHEMBL2936121
    • CHEMBL1812645
    • ACon1_001218
    • DTXSID601318569
    • AKOS040735765
    • HY-W506116
    • CS-0591719
    • NS00097049
    • C09281
    • AG-667/03559038
    • AK-693/21141018
    • 6-Geranyl-7-hydroxycoumarin, >=95% (LC/MS-ELSD)
    • Q21547160
    • Coumarin,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-
    • Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-
    • (E)-6-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one,6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-
    • 2H-1-Benzopyran-2-one,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-
    • Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-(8CI)
    • 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-(9CI)

  • Applications

    Ostruthin (CAS 148-83-4) is a natural product belonging to the furanocoumarin class, primarily encountered in phytochemical studies of Apiaceae species. In practical terms, ostruthin is commonly used as an analytical reference compound for identification and profiling of furanocoumarins in plant extracts, and as a starting point for structure–activity relationship (SAR) exploration in medicinal chemistry. It has been evaluated in early-stage bioactivity research for properties such as antimicrobial and anti-inflammatory effects, making it a potential lead scaffold for natural product-derived libraries. In synthetic chemistry, ostruthin can serve as an intermediate or substrate for the preparation of derived furanocoumarins. Some cosmetic science and agricultural research interest exists around related natural products for fragrance-related research or bioactivity, but commercial applications of ostruthin remain exploratory and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.85
    methanol 32.95
    isopropanol 18.58
    water 0.01
    ethyl acetate 29.16
    n-propanol 29.09
    acetone 35.34
    n-butanol 23.11
    acetonitrile 11.55
    DMF 74.93
    toluene 16.78
    isobutanol 18.14
    1,4-dioxane 96.85
    methyl acetate 37.11
    THF 194.03
    2-butanone 66.98
    n-pentanol 22.6
    sec-butanol 21.52
    n-hexane 0.16
    ethylene glycol 1.72
    NMP 35.25
    cyclohexane 0.29
    DMSO 67.98
    n-butyl acetate 27.14
    n-octanol 6.24
    chloroform 38.86
    n-propyl acetate 29.63
    acetic acid 22.9
    dichloromethane 47.2
    cyclohexanone 52.27
    propylene glycol 8.16
    isopropyl acetate 20.7
    DMAc 149.51
    2-ethoxyethanol 65.83
    isopentanol 23.79
    n-heptane 0.24
    ethyl formate 11.69
    1,2-dichloroethane 32.89
    n-hexanol 16.01
    2-methoxyethanol 90.36
    isobutyl acetate 24.08
    tetrachloromethane 1.35
    n-pentyl acetate 19.78
    transcutol 390.19
    n-heptanol 9.2
    ethylbenzene 7.11
    MIBK 24.23
    2-propoxyethanol 71.51
    tert-butanol 23.83
    MTBE 27.39
    2-butoxyethanol 38.96
    propionic acid 15.58
    o-xylene 6.83
    formic acid 6.2
    diethyl ether 19.1
    m-xylene 8.6
    p-xylene 10.42
    chlorobenzene 13.88
    dimethyl carbonate 11.14
    n-octane 0.16
    formamide 17.44
    cyclopentanone 62.1
    2-pentanone 32.1
    anisole 36.81
    cyclopentyl methyl ether 30.27
    gamma-butyrolactone 48.86
    1-methoxy-2-propanol 67.85
    pyridine 83.4
    3-pentanone 23.66
    furfural 49.69
    n-dodecane 0.23
    diethylene glycol 30.39
    diisopropyl ether 3.73
    tert-amyl alcohol 25.03
    acetylacetone 41.77
    n-hexadecane 0.27
    acetophenone 31.48
    methyl propionate 25.96
    isopentyl acetate 34.12
    trichloroethylene 73.19
    n-nonanol 7.64
    cyclohexanol 12.41
    benzyl alcohol 26.9
    2-ethylhexanol 10.21
    isooctanol 9.28
    dipropyl ether 12.76
    1,2-dichlorobenzene 11.66
    ethyl lactate 12.91
    propylene carbonate 20.56
    n-methylformamide 22.16
    2-pentanol 11.67
    n-pentane 0.12
    1-propoxy-2-propanol 43.51
    1-methoxy-2-propyl acetate 48.49
    2-(2-methoxypropoxy) propanol 53.99
    mesitylene 3.73
    ε-caprolactone 45.27
    p-cymene 5.17
    epichlorohydrin 131.57
    1,1,1-trichloroethane 13.31
    2-aminoethanol 9.93
    morpholine-4-carbaldehyde 87.13
    sulfolane 48.4
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 67.14
    n-hexyl acetate 24.37
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 81.99
    sec-butyl acetate 22.37
    tert-butyl acetate 28.29
    decalin 0.47
    glycerin 11.23
    diglyme 161.49
    acrylic acid 11.87
    isopropyl myristate 9.27
    n-butyric acid 25.16
    acetyl acetate 14.78
    di(2-ethylhexyl) phthalate 13.78
    ethyl propionate 19.2
    nitromethane 48.93
    1,2-diethoxyethane 78.53
    benzonitrile 18.97
    trioctyl phosphate 6.7
    1-bromopropane 10.95
    gamma-valerolactone 122.47
    n-decanol 5.52
    triethyl phosphate 11.37
    4-methyl-2-pentanol 9.19
    propionitrile 13.36
    vinylene carbonate 18.95
    1,1,2-trichlorotrifluoroethane 48.45
    DMS 23.07
    cumene 5.39
    2-octanol 5.27
    2-hexanone 36.31
    octyl acetate 12.25
    limonene 5.77
    1,2-dimethoxyethane 125.18
    ethyl orthosilicate 12.23
    tributyl phosphate 9.02
    diacetone alcohol 41.59
    N,N-dimethylaniline 21.03
    acrylonitrile 16.69
    aniline 22.96
    1,3-propanediol 24.3
    bromobenzene 12.52
    dibromomethane 16.93
    1,1,2,2-tetrachloroethane 52.23
    2-methyl-cyclohexyl acetate 25.52
    tetrabutyl urea 14.02
    diisobutyl methanol 6.81
    2-phenylethanol 29.28
    styrene 8.87
    dioctyl adipate 19.29
    dimethyl sulfate 15.74
    ethyl butyrate 19.89
    methyl lactate 13.1
    butyl lactate 19.21
    diethyl carbonate 12.42
    propanediol butyl ether 32.06
    triethyl orthoformate 18.89
    p-tert-butyltoluene 4.79
    methyl 4-tert-butylbenzoate 29.97
    morpholine 152.53
    tert-butylamine 8.85
    n-dodecanol 3.98
    dimethoxymethane 74.86
    ethylene carbonate 14.81
    cyrene 37.58
    2-ethoxyethyl acetate 48.81
    2-ethylhexyl acetate 24.58
    1,2,4-trichlorobenzene 18.3
    4-methylpyridine 59.64
    dibutyl ether 12.62
    2,6-dimethyl-4-heptanol 6.81
    DEF 37.75
    dimethyl isosorbide 90.41
    tetrachloroethylene 22.01
    eugenol 34.65
    triacetin 34.71
    span 80 34.05
    1,4-butanediol 7.41
    1,1-dichloroethane 17.61
    2-methyl-1-pentanol 26.14
    methyl formate 13.77
    2-methyl-1-butanol 21.24
    n-decane 0.4
    butyronitrile 14.94
    3,7-dimethyl-1-octanol 9.83
    1-chlorooctane 3.09
    1-chlorotetradecane 1.3
    n-nonane 0.27
    undecane 0.29
    tert-butylcyclohexane 0.56
    cyclooctane 0.1
    cyclopentanol 13.0
    tetrahydropyran 63.3
    tert-amyl methyl ether 19.12
    2,5,8-trioxanonane 104.97
    1-hexene 2.28
    2-isopropoxyethanol 46.78
    2,2,2-trifluoroethanol 4.3
    methyl butyrate 29.47

    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