Biflorin

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  • Identifiers

    CAS number
    89701-85-9

    Molecular formula
    C16H18O9

    SMILES
    CC1=CC(=O)C2=C(O1)C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.81%
    Phenolic 26.02%
    Vanilla 23.75%
    Sweet 22.03%
    Burnt 21.24%
    Savory 20.29%
    Milky 20.1%
    Bitter 18.99%
    Caramellic 18.71%
    Smoky 18.1%

     

    Flavor
    Bitter 72.46%
    Odorless 37.43%
    Bland 28.63%
    Sweet-like 26.06%
    Mild 21.26%
    Cedarleaf 20.49%
    Very mild 20.01%
    Eugenol 19.83%
    Parsley 19.66%
    Very slight 19.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    7.2 (neutral)

    Molecular weight
    354.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3148°C

    Flash point

    • 291.99 ˚C est.

  • Synonyms

    • Biflorin
    • 89701-85-9
    • YJ3TYM754D
    • DTXSID00331689
    • 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
    • 5,7-dihydroxy-2-methyl-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-4H-chromen-4-one
    • 5,7-dihydroxy-2-methyl-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
    • RefChem:119777
    • DTXCID00282783
    • Rosa I Banuelos
    • alpha-Glucosidase inhibitor CB-2
    • 5,7-dihydroxy-2-methyl-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
    • CHEBI:3094
    • CHEMBL463312
    • orb1698145
    • SCHEMBL29944535
    • 6,9-dimethyl-3-(4-methyl-3-pentenyl)naphtho(1,8-bc)pyran-7,8-dione
    • 6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one
    • AKOS040750799
    • FB65680
    • HY-119956
    • CS-0078832
    • NS00126739
    • C08996
    • 6beta-C-Glucopyranosyl-5,7-dihydroxy-2-methylchromone
    • Q27105940
    • 5,7-dihydroxy-2-methylchromone-6-C-beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7-dihydroxy-2-methyl-
    • (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-6-yl)-D-glucitol
    • 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
    • 89701-85-9

  • Applications

    Biflorin (CAS 89701-85-9) is a specialized organic compound primarily encountered as an intermediate in chemical synthesis to prepare more complex naphthoquinone derivatives. In practice, it is often evaluated as a dye or pigment precursor for coatings and inks. It is also evaluated as a synthetic building block in exploratory pharmaceutical and agrochemical research. Additionally, it has been investigated as a redox-active component in polymer formulations and electronics research, with applications largely limited to R&D contexts and subject to formulation limits and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.46
    methanol 4.08
    isopropanol 0.16
    water 0.12
    ethyl acetate 0.03
    n-propanol 0.45
    acetone 0.11
    n-butanol 0.21
    acetonitrile 0.05
    DMF 13.11
    toluene 0.01
    isobutanol 0.15
    1,4-dioxane 0.33
    methyl acetate 0.06
    THF 0.97
    2-butanone 0.18
    n-pentanol 0.14
    sec-butanol 0.19
    n-hexane 0.0
    ethylene glycol 7.73
    NMP 26.74
    cyclohexane 0.01
    DMSO 59.49
    n-butyl acetate 0.05
    n-octanol 0.12
    chloroform 0.0
    n-propyl acetate 0.04
    acetic acid 1.53
    dichloromethane 0.0
    cyclohexanone 0.5
    propylene glycol 6.25
    isopropyl acetate 0.02
    DMAc 11.44
    2-ethoxyethanol 3.71
    isopentanol 0.13
    n-heptane 0.01
    ethyl formate 0.09
    1,2-dichloroethane 0.01
    n-hexanol 0.13
    2-methoxyethanol 16.66
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 5.45
    n-heptanol 0.19
    ethylbenzene 0.01
    MIBK 0.07
    2-propoxyethanol 3.07
    tert-butanol 0.13
    MTBE 0.03
    2-butoxyethanol 1.88
    propionic acid 0.49
    o-xylene 0.01
    formic acid 16.86
    diethyl ether 0.04
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.2
    n-octane 0.0
    formamide 14.52
    cyclopentanone 0.88
    2-pentanone 0.11
    anisole 0.03
    cyclopentyl methyl ether 0.18
    gamma-butyrolactone 1.15
    1-methoxy-2-propanol 6.49
    pyridine 0.16
    3-pentanone 0.09
    furfural 1.51
    n-dodecane 0.0
    diethylene glycol 9.79
    diisopropyl ether 0.01
    tert-amyl alcohol 0.16
    acetylacetone 0.19
    n-hexadecane 0.0
    acetophenone 0.09
    methyl propionate 0.14
    isopentyl acetate 0.06
    trichloroethylene 0.01
    n-nonanol 0.13
    cyclohexanol 0.19
    benzyl alcohol 0.13
    2-ethylhexanol 0.07
    isooctanol 0.12
    dipropyl ether 0.11
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.43
    propylene carbonate 0.21
    n-methylformamide 5.08
    2-pentanol 0.08
    n-pentane 0.0
    1-propoxy-2-propanol 1.4
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 1.93
    mesitylene 0.01
    ε-caprolactone 0.47
    p-cymene 0.02
    epichlorohydrin 0.39
    1,1,1-trichloroethane 0.0
    2-aminoethanol 7.18
    morpholine-4-carbaldehyde 12.13
    sulfolane 12.03
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.19
    n-hexyl acetate 0.1
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.69
    sec-butyl acetate 0.02
    tert-butyl acetate 0.05
    decalin 0.0
    glycerin 32.72
    diglyme 4.46
    acrylic acid 1.02
    isopropyl myristate 0.04
    n-butyric acid 0.26
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.05
    nitromethane 1.69
    1,2-diethoxyethane 0.16
    benzonitrile 0.03
    trioctyl phosphate 0.12
    1-bromopropane 0.01
    gamma-valerolactone 5.01
    n-decanol 0.09
    triethyl phosphate 0.12
    4-methyl-2-pentanol 0.05
    propionitrile 0.06
    vinylene carbonate 0.19
    1,1,2-trichlorotrifluoroethane 3.27
    DMS 0.13
    cumene 0.01
    2-octanol 0.07
    2-hexanone 0.09
    octyl acetate 0.07
    limonene 0.03
    1,2-dimethoxyethane 1.9
    ethyl orthosilicate 0.09
    tributyl phosphate 0.1
    diacetone alcohol 0.8
    N,N-dimethylaniline 0.06
    acrylonitrile 0.15
    aniline 0.05
    1,3-propanediol 4.25
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.1
    tetrabutyl urea 0.3
    diisobutyl methanol 0.04
    2-phenylethanol 0.12
    styrene 0.01
    dioctyl adipate 0.12
    dimethyl sulfate 1.19
    ethyl butyrate 0.07
    methyl lactate 1.9
    butyl lactate 0.44
    diethyl carbonate 0.04
    propanediol butyl ether 2.52
    triethyl orthoformate 0.12
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.46
    morpholine 1.14
    tert-butylamine 0.03
    n-dodecanol 0.05
    dimethoxymethane 2.05
    ethylene carbonate 0.11
    cyrene 4.27
    2-ethoxyethyl acetate 0.16
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.07
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.58
    dimethyl isosorbide 2.74
    tetrachloroethylene 0.02
    eugenol 0.75
    triacetin 0.31
    span 80 1.32
    1,4-butanediol 1.22
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.1
    methyl formate 1.51
    2-methyl-1-butanol 0.16
    n-decane 0.01
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.01
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.34
    tetrahydropyran 0.13
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 3.47
    1-hexene 0.01
    2-isopropoxyethanol 0.86
    2,2,2-trifluoroethanol 0.72
    methyl butyrate 0.09

    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