Blumeatin

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  • Identifiers

    CAS number
    118024-26-3

    Molecular formula
    C16H14O6

    SMILES
    COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC(=CC(=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.82%
    Phenolic 49.75%
    Sweet 32.66%
    Vanilla 32.19%
    Spicy 28.91%
    Creamy 25.28%
    Nutty 24.56%
    Burnt 24.31%
    Balsamic 23.31%
    Smoky 21.49%

     

    Flavor
    Bitter 91.97%
    Bland 23.9%
    Odorless 23.32%
    Cedarleaf 20.9%
    Sweet-like 20.67%
    Parsley 20.5%
    Lovage 20.01%
    Ripe apricot 19.39%
    Red fruit 19.07%
    Nitrile 19.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    10.1 (weak base)

    Molecular weight
    302.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    763°C

    Flash point

    • 245.85 ˚C est.

  • Synonyms

    • Blumeatin
    • 118024-26-3
    • FYN981DTL9
    • 5,3',5'-Trihydroxy-7-methoxyflavanone
    • (2S)-2-(3,5-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
    • DTXSID001318666
    • 4H-1-BENZOPYRAN-4-ONE, 2-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-5-HYDROXY-7-METHOXY-, (2S)-
    • (2S)-2-(3,5-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
    • RefChem:120664
    • 2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • DTXCID801748469
    • 5,3',5'-Trihydroxy-7-methoxy-2,3-dihydro-flavone
    • UNII-FYN981DTL9
    • Bluemeatin
    • (S)-2-(3,5-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one
    • orb1297620
    • CHEMBL2037158
    • SCHEMBL29435874
    • CHEBI:174887
    • HY-N2358
    • MFCD20274981
    • AKOS040760103
    • EBC-615782
    • (2S)-2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • AC-33994
    • DA-51228
    • MS-24356
    • CS-0022540
    • G14090
    • (2S)-2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-chroman-4-one
    • (2S)-2-(3,5-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 118024-26-3

  • Applications

    Blumeatin (CAS 118024-26-3) is a flavonoid-type compound primarily used as an intermediate in organic synthesis and as a research reagent. It has been evaluated for antioxidant activity and may be used as a stabilizing additive in cosmetics, polymers, and coatings to improve shelf life and color stability. It is also investigated as a lead scaffold in pharmaceutical and agrochemical research, with ongoing assessments of structure–activity relationships. In some formulations, it may be considered as a fragrance/odorant precursor in perfumery, subject to formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.65
    methanol 20.87
    isopropanol 10.41
    water 0.01
    ethyl acetate 25.09
    n-propanol 9.08
    acetone 127.29
    n-butanol 8.46
    acetonitrile 37.26
    DMF 311.3
    toluene 0.59
    isobutanol 6.48
    1,4-dioxane 40.52
    methyl acetate 34.27
    THF 348.95
    2-butanone 65.96
    n-pentanol 5.21
    sec-butanol 7.48
    n-hexane 0.04
    ethylene glycol 8.91
    NMP 116.9
    cyclohexane 0.06
    DMSO 1835.34
    n-butyl acetate 13.05
    n-octanol 3.3
    chloroform 5.63
    n-propyl acetate 13.71
    acetic acid 31.78
    dichloromethane 4.36
    cyclohexanone 48.48
    propylene glycol 10.18
    isopropyl acetate 13.52
    DMAc 307.98
    2-ethoxyethanol 48.81
    isopentanol 8.52
    n-heptane 0.08
    ethyl formate 25.92
    1,2-dichloroethane 7.83
    n-hexanol 4.31
    2-methoxyethanol 136.12
    isobutyl acetate 5.53
    tetrachloromethane 0.68
    n-pentyl acetate 4.58
    transcutol 69.17
    n-heptanol 2.63
    ethylbenzene 0.55
    MIBK 17.47
    2-propoxyethanol 51.46
    tert-butanol 18.23
    MTBE 6.44
    2-butoxyethanol 15.37
    propionic acid 13.7
    o-xylene 0.75
    formic acid 22.74
    diethyl ether 7.2
    m-xylene 0.67
    p-xylene 0.77
    chlorobenzene 1.26
    dimethyl carbonate 25.84
    n-octane 0.04
    formamide 65.26
    cyclopentanone 148.04
    2-pentanone 44.32
    anisole 7.07
    cyclopentyl methyl ether 20.33
    gamma-butyrolactone 117.47
    1-methoxy-2-propanol 98.71
    pyridine 13.26
    3-pentanone 22.69
    furfural 59.57
    n-dodecane 0.08
    diethylene glycol 53.69
    diisopropyl ether 1.41
    tert-amyl alcohol 10.35
    acetylacetone 68.78
    n-hexadecane 0.09
    acetophenone 10.43
    methyl propionate 33.98
    isopentyl acetate 10.6
    trichloroethylene 17.26
    n-nonanol 3.35
    cyclohexanol 6.46
    benzyl alcohol 6.8
    2-ethylhexanol 3.22
    isooctanol 2.43
    dipropyl ether 6.28
    1,2-dichlorobenzene 1.96
    ethyl lactate 13.99
    propylene carbonate 25.2
    n-methylformamide 103.71
    2-pentanol 4.7
    n-pentane 0.04
    1-propoxy-2-propanol 31.98
    1-methoxy-2-propyl acetate 27.83
    2-(2-methoxypropoxy) propanol 28.46
    mesitylene 0.53
    ε-caprolactone 31.97
    p-cymene 1.0
    epichlorohydrin 117.97
    1,1,1-trichloroethane 5.36
    2-aminoethanol 13.01
    morpholine-4-carbaldehyde 96.95
    sulfolane 227.29
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 37.15
    n-hexyl acetate 8.0
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 28.56
    sec-butyl acetate 6.87
    tert-butyl acetate 15.83
    decalin 0.08
    glycerin 39.94
    diglyme 70.23
    acrylic acid 15.63
    isopropyl myristate 3.75
    n-butyric acid 19.37
    acetyl acetate 13.81
    di(2-ethylhexyl) phthalate 4.98
    ethyl propionate 15.78
    nitromethane 211.21
    1,2-diethoxyethane 12.69
    benzonitrile 6.6
    trioctyl phosphate 3.9
    1-bromopropane 2.36
    gamma-valerolactone 144.58
    n-decanol 2.43
    triethyl phosphate 7.93
    4-methyl-2-pentanol 3.38
    propionitrile 21.48
    vinylene carbonate 18.81
    1,1,2-trichlorotrifluoroethane 72.44
    DMS 11.07
    cumene 0.49
    2-octanol 1.71
    2-hexanone 19.65
    octyl acetate 4.92
    limonene 1.53
    1,2-dimethoxyethane 112.39
    ethyl orthosilicate 6.31
    tributyl phosphate 5.59
    diacetone alcohol 43.11
    N,N-dimethylaniline 4.77
    acrylonitrile 36.35
    aniline 3.88
    1,3-propanediol 27.34
    bromobenzene 0.85
    dibromomethane 2.25
    1,1,2,2-tetrachloroethane 15.45
    2-methyl-cyclohexyl acetate 7.79
    tetrabutyl urea 9.29
    diisobutyl methanol 2.55
    2-phenylethanol 7.13
    styrene 0.56
    dioctyl adipate 7.64
    dimethyl sulfate 70.13
    ethyl butyrate 12.12
    methyl lactate 34.49
    butyl lactate 8.5
    diethyl carbonate 8.17
    propanediol butyl ether 14.2
    triethyl orthoformate 9.24
    p-tert-butyltoluene 0.93
    methyl 4-tert-butylbenzoate 12.1
    morpholine 67.24
    tert-butylamine 3.18
    n-dodecanol 1.71
    dimethoxymethane 135.41
    ethylene carbonate 17.96
    cyrene 26.57
    2-ethoxyethyl acetate 9.89
    2-ethylhexyl acetate 6.75
    1,2,4-trichlorobenzene 3.18
    4-methylpyridine 12.83
    dibutyl ether 4.11
    2,6-dimethyl-4-heptanol 2.55
    DEF 47.14
    dimethyl isosorbide 50.35
    tetrachloroethylene 6.59
    eugenol 12.56
    triacetin 12.68
    span 80 12.77
    1,4-butanediol 7.51
    1,1-dichloroethane 5.02
    2-methyl-1-pentanol 4.95
    methyl formate 74.85
    2-methyl-1-butanol 6.41
    n-decane 0.12
    butyronitrile 17.85
    3,7-dimethyl-1-octanol 3.73
    1-chlorooctane 0.97
    1-chlorotetradecane 0.4
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.08
    cyclooctane 0.03
    cyclopentanol 13.38
    tetrahydropyran 18.48
    tert-amyl methyl ether 6.28
    2,5,8-trioxanonane 53.69
    1-hexene 0.33
    2-isopropoxyethanol 22.35
    2,2,2-trifluoroethanol 16.45
    methyl butyrate 23.25

    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