Glyurallin B

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  • Identifiers

    CAS number
    199331-53-8

    Molecular formula
    C25H26O6

    SMILES
    CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.74%
    Spicy 42.23%
    Fruity 32.17%
    Woody 30.95%
    Burnt 29.77%
    Odorless 29.12%
    Smoky 28.91%
    Dry 26.44%
    Medicinal 23.05%
    Animal 22.19%

     

    Flavor
    Bitter 88.29%
    Cedarleaf 20.0%
    Parsley 19.8%
    Lovage 19.53%
    Nitrile 18.88%
    Heather 18.63%
    Broom 18.6%
    Eugenol 18.58%
    Odorless 18.54%
    Thymol 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    10.13 (weak base)

    Molecular weight
    422.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1401°C

    Flash point

    • 245.02 ˚C est.

  • Synonyms

    • Glyurallin B
    • 199331-53-8
    • 3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
    • 3-(3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 3-(3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
    • RefChem:144054
    • 4H-1-Benzopyran-4-one, 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-
    • CHEMBL4068000
    • MEGxp0_001474
    • orb1942488
    • SCHEMBL12866195
    • SCHEMBL29516020
    • ACon1_000035
    • CHEBI:175379
    • DTXSID801318034
    • BDBM50253186
    • HY-N11771
    • NCGC00168855-01
    • DA-53644
    • CS-0834519
    • 3-[3,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 199331-53-8

  • Applications

    Glyurallin B, identified by CAS 199331-53-8, is commonly viewed as an organic synthesis intermediate and may be used as a solvent or processing aid in industrial manufacturing; in the polymers and plastics sector it can function as a building block or compatibility additive and is evaluated for use in coatings and inks formulations; in cosmetics and personal care it may serve as a solvent or carrier in formulations; it can also be considered as a cleaning formulation aid or processing additive in industrial cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.38
    methanol 1.6
    isopropanol 1.31
    water 0.0
    ethyl acetate 1.37
    n-propanol 2.35
    acetone 2.29
    n-butanol 1.49
    acetonitrile 0.76
    DMF 19.21
    toluene 0.47
    isobutanol 1.44
    1,4-dioxane 5.37
    methyl acetate 3.19
    THF 27.71
    2-butanone 5.55
    n-pentanol 1.53
    sec-butanol 2.16
    n-hexane 0.02
    ethylene glycol 0.91
    NMP 33.52
    cyclohexane 0.02
    DMSO 34.11
    n-butyl acetate 1.8
    n-octanol 0.76
    chloroform 2.38
    n-propyl acetate 1.71
    acetic acid 6.38
    dichloromethane 2.14
    cyclohexanone 6.84
    propylene glycol 3.71
    isopropyl acetate 1.21
    DMAc 43.34
    2-ethoxyethanol 7.76
    isopentanol 1.33
    n-heptane 0.03
    ethyl formate 1.15
    1,2-dichloroethane 1.69
    n-hexanol 1.05
    2-methoxyethanol 15.35
    isobutyl acetate 1.27
    tetrachloromethane 0.14
    n-pentyl acetate 2.32
    transcutol 32.47
    n-heptanol 1.12
    ethylbenzene 0.25
    MIBK 1.51
    2-propoxyethanol 11.99
    tert-butanol 1.85
    MTBE 1.2
    2-butoxyethanol 7.23
    propionic acid 4.14
    o-xylene 0.31
    formic acid 2.24
    diethyl ether 0.7
    m-xylene 0.29
    p-xylene 0.4
    chlorobenzene 0.56
    dimethyl carbonate 2.77
    n-octane 0.02
    formamide 3.61
    cyclopentanone 16.37
    2-pentanone 2.32
    anisole 1.49
    cyclopentyl methyl ether 2.77
    gamma-butyrolactone 19.1
    1-methoxy-2-propanol 14.69
    pyridine 6.7
    3-pentanone 2.1
    furfural 11.28
    n-dodecane 0.02
    diethylene glycol 8.42
    diisopropyl ether 0.17
    tert-amyl alcohol 2.43
    acetylacetone 4.25
    n-hexadecane 0.02
    acetophenone 2.62
    methyl propionate 3.3
    isopentyl acetate 2.18
    trichloroethylene 6.63
    n-nonanol 0.92
    cyclohexanol 1.41
    benzyl alcohol 2.2
    2-ethylhexanol 0.69
    isooctanol 1.08
    dipropyl ether 1.02
    1,2-dichlorobenzene 0.6
    ethyl lactate 2.83
    propylene carbonate 4.42
    n-methylformamide 5.15
    2-pentanol 0.94
    n-pentane 0.02
    1-propoxy-2-propanol 8.91
    1-methoxy-2-propyl acetate 6.61
    2-(2-methoxypropoxy) propanol 9.6
    mesitylene 0.13
    ε-caprolactone 7.44
    p-cymene 0.28
    epichlorohydrin 23.26
    1,1,1-trichloroethane 0.84
    2-aminoethanol 2.52
    morpholine-4-carbaldehyde 28.91
    sulfolane 43.57
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 5.99
    n-hexyl acetate 2.45
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.39
    sec-butyl acetate 1.32
    tert-butyl acetate 2.21
    decalin 0.02
    glycerin 9.21
    diglyme 19.49
    acrylic acid 5.17
    isopropyl myristate 0.89
    n-butyric acid 3.17
    acetyl acetate 1.13
    di(2-ethylhexyl) phthalate 1.86
    ethyl propionate 1.59
    nitromethane 12.02
    1,2-diethoxyethane 4.06
    benzonitrile 1.22
    trioctyl phosphate 1.14
    1-bromopropane 0.56
    gamma-valerolactone 35.97
    n-decanol 0.62
    triethyl phosphate 1.41
    4-methyl-2-pentanol 0.62
    propionitrile 1.16
    vinylene carbonate 3.68
    1,1,2-trichlorotrifluoroethane 25.58
    DMS 3.96
    cumene 0.2
    2-octanol 0.72
    2-hexanone 2.44
    octyl acetate 1.24
    limonene 0.35
    1,2-dimethoxyethane 10.94
    ethyl orthosilicate 1.31
    tributyl phosphate 1.32
    diacetone alcohol 7.64
    N,N-dimethylaniline 1.34
    acrylonitrile 2.25
    aniline 1.76
    1,3-propanediol 3.81
    bromobenzene 0.43
    dibromomethane 0.9
    1,1,2,2-tetrachloroethane 5.4
    2-methyl-cyclohexyl acetate 2.05
    tetrabutyl urea 2.3
    diisobutyl methanol 0.54
    2-phenylethanol 2.29
    styrene 0.27
    dioctyl adipate 2.11
    dimethyl sulfate 8.95
    ethyl butyrate 1.5
    methyl lactate 6.46
    butyl lactate 4.75
    diethyl carbonate 1.0
    propanediol butyl ether 8.23
    triethyl orthoformate 2.03
    p-tert-butyltoluene 0.3
    methyl 4-tert-butylbenzoate 5.41
    morpholine 12.42
    tert-butylamine 0.48
    n-dodecanol 0.41
    dimethoxymethane 9.39
    ethylene carbonate 2.31
    cyrene 11.95
    2-ethoxyethyl acetate 5.7
    2-ethylhexyl acetate 1.54
    1,2,4-trichlorobenzene 1.49
    4-methylpyridine 3.74
    dibutyl ether 0.81
    2,6-dimethyl-4-heptanol 0.54
    DEF 4.86
    dimethyl isosorbide 17.9
    tetrachloroethylene 2.18
    eugenol 6.01
    triacetin 5.72
    span 80 7.58
    1,4-butanediol 1.3
    1,1-dichloroethane 0.89
    2-methyl-1-pentanol 1.55
    methyl formate 3.57
    2-methyl-1-butanol 1.65
    n-decane 0.03
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 0.94
    1-chlorooctane 0.22
    1-chlorotetradecane 0.09
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.96
    tetrahydropyran 2.93
    tert-amyl methyl ether 1.36
    2,5,8-trioxanonane 13.19
    1-hexene 0.16
    2-isopropoxyethanol 5.21
    2,2,2-trifluoroethanol 1.71
    methyl butyrate 2.37

    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