Uralenin

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  • Identifiers

    CAS number
    139163-17-0

    Molecular formula
    C20H18O6

    SMILES
    CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 51.85%
    Odorless 43.87%
    Spicy 32.82%
    Burnt 31.91%
    Smoky 27.15%
    Fruity 24.9%
    Woody 23.77%
    Dry 23.14%
    Medicinal 22.77%
    Animal 21.69%

     

    Flavor
    Bitter 92.66%
    Odorless 22.52%
    Cedarleaf 20.78%
    Parsley 20.27%
    Lovage 19.99%
    Bland 19.86%
    Nitrile 19.65%
    Sweet-like 19.57%
    Eugenol 19.47%
    Very strong 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.54 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    870°C

    Flash point

    • 239.16 ˚C est.

  • Synonyms

    • Uralenin
    • 139163-17-0
    • DTXSID70160948
    • 5,7,3',4'-tetrahydroxy-5'-isoprenyl-flavanone
    • RefChem:193178
    • DTXCID3083439
    • 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
    • 5,7,3',4'-Tetrahydroxy-5'-isoprenylflavanone
    • CHEMBL4757426
    • SCHEMBL31467398
    • 2-(3,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)-5,7-dihydroxy-4H-chromen-4-one
    • 2-[3,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-5,7-dihydroxy-
    • 139163-17-0

  • Applications

    Uralenin (CAS 139163-17-0) is used in a range of industrial applications as a solvent, processing aid, and odorant. In perfumery and cosmetics, it is commonly evaluated as a fragrance component; in household cleaning formulations, it may serve as a solvent or odorant additive; in coatings and inks, it can function as a processing solvent or additive; in polymers and plastics processing, it may act as a co-solvent or processing aid; in industrial manufacturing, it is sometimes employed as an intermediate or ancillary chemical, subject to formulation limits and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.1
    methanol 2.85
    isopropanol 2.86
    water 0.0
    ethyl acetate 1.74
    n-propanol 5.24
    acetone 1.48
    n-butanol 3.62
    acetonitrile 0.85
    DMF 45.15
    toluene 0.1
    isobutanol 2.51
    1,4-dioxane 3.56
    methyl acetate 3.36
    THF 34.71
    2-butanone 6.7
    n-pentanol 2.13
    sec-butanol 4.48
    n-hexane 0.0
    ethylene glycol 3.55
    NMP 40.78
    cyclohexane 0.0
    DMSO 205.65
    n-butyl acetate 1.83
    n-octanol 0.72
    chloroform 0.09
    n-propyl acetate 1.87
    acetic acid 8.86
    dichloromethane 0.08
    cyclohexanone 6.08
    propylene glycol 11.69
    isopropyl acetate 1.38
    DMAc 77.4
    2-ethoxyethanol 20.91
    isopentanol 2.56
    n-heptane 0.01
    ethyl formate 1.51
    1,2-dichloroethane 0.18
    n-hexanol 0.95
    2-methoxyethanol 59.72
    isobutyl acetate 1.01
    tetrachloromethane 0.02
    n-pentyl acetate 1.61
    transcutol 60.61
    n-heptanol 1.01
    ethylbenzene 0.08
    MIBK 1.76
    2-propoxyethanol 23.4
    tert-butanol 3.12
    MTBE 1.04
    2-butoxyethanol 9.96
    propionic acid 6.1
    o-xylene 0.1
    formic acid 5.14
    diethyl ether 0.42
    m-xylene 0.09
    p-xylene 0.11
    chlorobenzene 0.09
    dimethyl carbonate 2.97
    n-octane 0.0
    formamide 9.46
    cyclopentanone 17.81
    2-pentanone 2.65
    anisole 0.97
    cyclopentyl methyl ether 2.17
    gamma-butyrolactone 22.87
    1-methoxy-2-propanol 48.22
    pyridine 3.57
    3-pentanone 1.55
    furfural 12.89
    n-dodecane 0.01
    diethylene glycol 23.37
    diisopropyl ether 0.11
    tert-amyl alcohol 4.05
    acetylacetone 5.4
    n-hexadecane 0.01
    acetophenone 2.02
    methyl propionate 4.16
    isopentyl acetate 2.24
    trichloroethylene 0.69
    n-nonanol 0.87
    cyclohexanol 1.54
    benzyl alcohol 2.05
    2-ethylhexanol 0.63
    isooctanol 0.98
    dipropyl ether 0.68
    1,2-dichlorobenzene 0.13
    ethyl lactate 4.82
    propylene carbonate 4.73
    n-methylformamide 12.26
    2-pentanol 1.53
    n-pentane 0.0
    1-propoxy-2-propanol 15.25
    1-methoxy-2-propyl acetate 8.93
    2-(2-methoxypropoxy) propanol 14.09
    mesitylene 0.05
    ε-caprolactone 8.35
    p-cymene 0.13
    epichlorohydrin 20.61
    1,1,1-trichloroethane 0.11
    2-aminoethanol 9.3
    morpholine-4-carbaldehyde 39.54
    sulfolane 70.19
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.94
    n-hexyl acetate 2.27
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 17.79
    sec-butyl acetate 1.23
    tert-butyl acetate 2.4
    decalin 0.01
    glycerin 33.16
    diglyme 30.13
    acrylic acid 6.72
    isopropyl myristate 0.87
    n-butyric acid 5.63
    acetyl acetate 0.99
    di(2-ethylhexyl) phthalate 1.92
    ethyl propionate 1.78
    nitromethane 18.89
    1,2-diethoxyethane 4.11
    benzonitrile 0.83
    trioctyl phosphate 1.26
    1-bromopropane 0.08
    gamma-valerolactone 47.0
    n-decanol 0.6
    triethyl phosphate 1.64
    4-methyl-2-pentanol 0.82
    propionitrile 1.2
    vinylene carbonate 3.27
    1,1,2-trichlorotrifluoroethane 28.54
    DMS 3.38
    cumene 0.07
    2-octanol 0.58
    2-hexanone 2.36
    octyl acetate 1.33
    limonene 0.19
    1,2-dimethoxyethane 20.22
    ethyl orthosilicate 1.37
    tributyl phosphate 1.5
    diacetone alcohol 13.82
    N,N-dimethylaniline 0.83
    acrylonitrile 2.58
    aniline 1.04
    1,3-propanediol 16.34
    bromobenzene 0.06
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.81
    2-methyl-cyclohexyl acetate 1.85
    tetrabutyl urea 2.63
    diisobutyl methanol 0.55
    2-phenylethanol 1.87
    styrene 0.07
    dioctyl adipate 2.4
    dimethyl sulfate 11.6
    ethyl butyrate 1.63
    methyl lactate 13.29
    butyl lactate 5.13
    diethyl carbonate 1.17
    propanediol butyl ether 11.44
    triethyl orthoformate 2.19
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 4.97
    morpholine 15.98
    tert-butylamine 0.5
    n-dodecanol 0.4
    dimethoxymethane 15.22
    ethylene carbonate 2.09
    cyrene 14.44
    2-ethoxyethyl acetate 4.93
    2-ethylhexyl acetate 1.35
    1,2,4-trichlorobenzene 0.4
    4-methylpyridine 2.13
    dibutyl ether 0.66
    2,6-dimethyl-4-heptanol 0.55
    DEF 7.31
    dimethyl isosorbide 20.85
    tetrachloroethylene 0.33
    eugenol 6.42
    triacetin 5.77
    span 80 8.7
    1,4-butanediol 3.22
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 1.88
    methyl formate 5.55
    2-methyl-1-butanol 3.07
    n-decane 0.01
    butyronitrile 0.95
    3,7-dimethyl-1-octanol 0.99
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 3.42
    tetrahydropyran 1.68
    tert-amyl methyl ether 1.34
    2,5,8-trioxanonane 20.19
    1-hexene 0.04
    2-isopropoxyethanol 10.16
    2,2,2-trifluoroethanol 2.17
    methyl butyrate 3.1

    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