Glyurallin A

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  • Identifiers

    CAS number
    199331-36-7

    Molecular formula
    C21H20O5

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.92%
    Spicy 48.12%
    Woody 30.76%
    Smoky 30.27%
    Sweet 27.39%
    Fruity 27.08%
    Animal 25.9%
    Leathery 25.44%
    Dry 24.45%
    Burnt 24.25%

     

    Flavor
    Bitter 90.1%
    Bland 21.4%
    Parsley 20.42%
    Cedarleaf 20.12%
    Lovage 19.25%
    Eugenol 18.51%
    Ripe apricot 18.18%
    Carrot 18.1%
    Sweet-like 18.09%
    Red fruit 18.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.73 (weak base)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    886°C

    Flash point

    • 255.93 ˚C est.

  • Synonyms

    • Glyurallin A
    • 199331-36-7
    • Glyurallin-a
    • X25VV8RRP9
    • 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
    • 3,9-Dihydroxy-1-methoxy-2-prenylpterocarpene
    • 1-Methoxy-2-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-C)chromene-3,9-diol
    • 1-Methoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-C)(1)benzopyran-3,9-diol
    • 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 1-methoxy-2-(3-methyl-2-buten-1-yl)-
    • 3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol
    • 3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo(8.7.0.0^(2,7).0^(11,16))heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol
    • RefChem:144053
    • UNII-X25VV8RRP9
    • 213130-81-5
    • CHEMBL4638414
    • Arizonicanol E
    • orb1682482
    • SCHEMBL5614046
    • CHEBI:175509
    • HY-N8947
    • ZHA33136
    • BDBM50539741
    • AKOS040761792
    • CS-0149422
    • 3,10-Dihydroxy-9-methoxy-8-(1,1-dimethyl-2-propenyl)pterocarpan
    • 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzouro[3,2-c]chromene-3,9-diol
    • 1-Methoxy-2-(3-methylbut-2-en-1-yl)-6H-benzofuro[3,2-c]chromene-3,9-diol
    • 213130-81-5

  • Applications

    Glyurallin A may be used as an intermediate in organic synthesis and may act as a solvent or co-solvent in formulation development; it can be considered a fragrance component or odorant in perfumery; it may be evaluated for cosmetic/personal care applications as a solvent or odorant in formulations; it can serve as a building block for polymers and plastics in industrial manufacturing; it may function as a processing aid or additive in coatings and inks; it may find use in cleaning formulations as a solvent or cleaning additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.34
    methanol 7.26
    isopropanol 8.06
    water 0.01
    ethyl acetate 22.85
    n-propanol 8.41
    acetone 64.82
    n-butanol 8.79
    acetonitrile 12.25
    DMF 104.92
    toluene 9.46
    isobutanol 8.61
    1,4-dioxane 75.79
    methyl acetate 34.84
    THF 169.16
    2-butanone 49.63
    n-pentanol 8.41
    sec-butanol 6.14
    n-hexane 0.15
    ethylene glycol 5.79
    NMP 89.29
    cyclohexane 0.55
    DMSO 184.64
    n-butyl acetate 22.18
    n-octanol 8.9
    chloroform 76.56
    n-propyl acetate 21.66
    acetic acid 37.54
    dichloromethane 50.3
    cyclohexanone 79.42
    propylene glycol 9.2
    isopropyl acetate 20.16
    DMAc 175.01
    2-ethoxyethanol 34.66
    isopentanol 11.62
    n-heptane 0.27
    ethyl formate 18.16
    1,2-dichloroethane 34.99
    n-hexanol 8.67
    2-methoxyethanol 63.14
    isobutyl acetate 21.72
    tetrachloromethane 4.06
    n-pentyl acetate 22.72
    transcutol 135.35
    n-heptanol 8.8
    ethylbenzene 4.28
    MIBK 23.74
    2-propoxyethanol 55.78
    tert-butanol 14.46
    MTBE 9.93
    2-butoxyethanol 36.46
    propionic acid 18.6
    o-xylene 5.33
    formic acid 10.92
    diethyl ether 7.09
    m-xylene 5.95
    p-xylene 8.27
    chlorobenzene 16.84
    dimethyl carbonate 32.96
    n-octane 0.21
    formamide 18.52
    cyclopentanone 113.85
    2-pentanone 29.49
    anisole 17.86
    cyclopentyl methyl ether 28.47
    gamma-butyrolactone 102.24
    1-methoxy-2-propanol 47.07
    pyridine 56.96
    3-pentanone 24.39
    furfural 76.44
    n-dodecane 0.46
    diethylene glycol 52.1
    diisopropyl ether 3.09
    tert-amyl alcohol 9.1
    acetylacetone 60.26
    n-hexadecane 0.58
    acetophenone 28.21
    methyl propionate 28.76
    isopentyl acetate 27.39
    trichloroethylene 100.95
    n-nonanol 10.17
    cyclohexanol 13.36
    benzyl alcohol 22.66
    2-ethylhexanol 7.83
    isooctanol 8.75
    dipropyl ether 8.26
    1,2-dichlorobenzene 17.12
    ethyl lactate 20.1
    propylene carbonate 45.53
    n-methylformamide 26.96
    2-pentanol 5.04
    n-pentane 0.13
    1-propoxy-2-propanol 37.05
    1-methoxy-2-propyl acetate 45.22
    2-(2-methoxypropoxy) propanol 45.31
    mesitylene 3.31
    ε-caprolactone 54.55
    p-cymene 5.22
    epichlorohydrin 124.06
    1,1,1-trichloroethane 28.86
    2-aminoethanol 9.09
    morpholine-4-carbaldehyde 107.48
    sulfolane 141.53
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 46.0
    n-hexyl acetate 26.63
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 58.29
    sec-butyl acetate 16.7
    tert-butyl acetate 25.0
    decalin 0.58
    glycerin 28.53
    diglyme 98.65
    acrylic acid 24.14
    isopropyl myristate 13.42
    n-butyric acid 27.93
    acetyl acetate 25.74
    di(2-ethylhexyl) phthalate 18.5
    ethyl propionate 18.28
    nitromethane 88.06
    1,2-diethoxyethane 35.53
    benzonitrile 23.64
    trioctyl phosphate 13.06
    1-bromopropane 9.41
    gamma-valerolactone 153.88
    n-decanol 7.83
    triethyl phosphate 15.05
    4-methyl-2-pentanol 5.92
    propionitrile 13.88
    vinylene carbonate 44.4
    1,1,2-trichlorotrifluoroethane 110.71
    DMS 36.35
    cumene 3.69
    2-octanol 6.03
    2-hexanone 26.51
    octyl acetate 16.75
    limonene 5.95
    1,2-dimethoxyethane 71.3
    ethyl orthosilicate 13.55
    tributyl phosphate 15.45
    diacetone alcohol 42.69
    N,N-dimethylaniline 13.63
    acrylonitrile 22.46
    aniline 19.22
    1,3-propanediol 21.32
    bromobenzene 15.69
    dibromomethane 24.46
    1,1,2,2-tetrachloroethane 82.46
    2-methyl-cyclohexyl acetate 24.31
    tetrabutyl urea 22.27
    diisobutyl methanol 6.19
    2-phenylethanol 25.75
    styrene 5.49
    dioctyl adipate 23.35
    dimethyl sulfate 60.32
    ethyl butyrate 17.89
    methyl lactate 34.36
    butyl lactate 25.22
    diethyl carbonate 14.92
    propanediol butyl ether 33.94
    triethyl orthoformate 18.16
    p-tert-butyltoluene 4.81
    methyl 4-tert-butylbenzoate 31.4
    morpholine 76.51
    tert-butylamine 4.68
    n-dodecanol 5.95
    dimethoxymethane 77.4
    ethylene carbonate 37.0
    cyrene 52.4
    2-ethoxyethyl acetate 45.48
    2-ethylhexyl acetate 20.91
    1,2,4-trichlorobenzene 28.31
    4-methylpyridine 40.45
    dibutyl ether 10.34
    2,6-dimethyl-4-heptanol 6.19
    DEF 36.59
    dimethyl isosorbide 75.59
    tetrachloroethylene 39.9
    eugenol 32.83
    triacetin 40.71
    span 80 32.45
    1,4-butanediol 8.66
    1,1-dichloroethane 26.86
    2-methyl-1-pentanol 10.12
    methyl formate 29.86
    2-methyl-1-butanol 8.81
    n-decane 0.62
    butyronitrile 12.5
    3,7-dimethyl-1-octanol 10.18
    1-chlorooctane 4.29
    1-chlorotetradecane 2.43
    n-nonane 0.42
    undecane 0.53
    tert-butylcyclohexane 0.5
    cyclooctane 0.21
    cyclopentanol 17.95
    tetrahydropyran 38.41
    tert-amyl methyl ether 7.99
    2,5,8-trioxanonane 78.99
    1-hexene 1.21
    2-isopropoxyethanol 28.0
    2,2,2-trifluoroethanol 15.09
    methyl butyrate 24.85

    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