Hispaglabridin B

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  • Identifiers

    CAS number
    68978-02-9

    Molecular formula
    C25H26O4

    SMILES
    CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C5=C(C=C4)OC(C=C5)(C)C)OC3)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 44.83%
    Spicy 38.73%
    Phenolic 37.26%
    Powdery 28.29%
    Animal 23.8%
    Floral 23.18%
    Vanilla 22.95%
    Woody 22.8%
    Musk 21.58%
    Fruity 21.14%

     

    Flavor
    Bitter 86.08%
    Cedarleaf 20.2%
    Parsley 19.88%
    Ripe apricot 19.45%
    Lovage 19.22%
    Red fruit 19.08%
    Indole 18.64%
    Very strong 18.55%
    Cereal 18.29%
    Eugenol 18.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.6 (neutral)

    Molecular weight
    390.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    704°C

    Flash point

    • 229.59 ˚C est.

  • Synonyms

    • Hispaglabridin B
    • 68978-02-9
    • 3386OSM882
    • 2H-1-Benzopyran-5-ol, 6-((3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-2,2-dimethyl-
    • 2H-1-Benzopyran-5-ol, 6-(3,4-dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-2,2-dimethyl-, (R)-
    • DTXSID201316642
    • 6-((3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano(2,3-f)chromen-3-yl)-2,2-dimethylchromen-5-ol
    • 6-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol
    • RefChem:38921
    • 6-(8,8-dimethyl-3,4-dihydro-2H-pyrano(2,3-f)chromen-3-yl)-2,2-dimethylchromen-5-ol
    • DTXCID901746480
    • UNII-3386OSM882
    • 2H,8H-Benzo(1,2-b:3,4-b')dipyran, 2H-1-benzopyran-5-ol deriv.
    • CHEMBL464582
    • SCHEMBL30266593
    • BDBM50496208
    • Q27256248
    • 6-[(3R)-8,8-Dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-2,2-dimethyl-2H-1-benzopyran-5-ol
    • 68978-02-9

  • Applications

    For Hispaglabridin B (CAS 68978-02-9), practical applications are typically explored in cosmetics/personal care as a bioactive antioxidant and skin-conditioning ingredient; in pharmaceutical research as an intermediate or natural-product lead for synthesis; in polymers and materials as a stabilizer or antioxidant additive to improve polymer longevity; in coatings and inks as a functional additive; and in agricultural research as a phytochemical with potential biological activity. These roles are formulation- and regulation-dependent and may vary by region.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.48
    methanol 4.5
    isopropanol 4.06
    water 0.01
    ethyl acetate 41.56
    n-propanol 6.47
    acetone 34.67
    n-butanol 6.71
    acetonitrile 16.52
    DMF 61.92
    toluene 27.28
    isobutanol 6.1
    1,4-dioxane 68.36
    methyl acetate 38.87
    THF 153.11
    2-butanone 45.32
    n-pentanol 7.92
    sec-butanol 4.26
    n-hexane 0.9
    ethylene glycol 0.98
    NMP 73.5
    cyclohexane 1.5
    DMSO 50.19
    n-butyl acetate 43.25
    n-octanol 8.55
    chloroform 239.06
    n-propyl acetate 35.85
    acetic acid 20.98
    dichloromethane 176.46
    cyclohexanone 70.68
    propylene glycol 1.36
    isopropyl acetate 29.25
    DMAc 114.12
    2-ethoxyethanol 24.31
    isopentanol 8.58
    n-heptane 1.23
    ethyl formate 24.73
    1,2-dichloroethane 83.38
    n-hexanol 10.93
    2-methoxyethanol 24.88
    isobutyl acetate 31.47
    tetrachloromethane 11.77
    n-pentyl acetate 31.37
    transcutol 92.91
    n-heptanol 8.71
    ethylbenzene 11.01
    MIBK 27.22
    2-propoxyethanol 48.68
    tert-butanol 5.46
    MTBE 13.27
    2-butoxyethanol 28.87
    propionic acid 12.25
    o-xylene 11.85
    formic acid 5.35
    diethyl ether 18.93
    m-xylene 14.68
    p-xylene 15.35
    chlorobenzene 48.39
    dimethyl carbonate 33.91
    n-octane 0.74
    formamide 10.45
    cyclopentanone 96.29
    2-pentanone 35.99
    anisole 30.89
    cyclopentyl methyl ether 43.68
    gamma-butyrolactone 105.98
    1-methoxy-2-propanol 21.78
    pyridine 74.51
    3-pentanone 40.74
    furfural 84.16
    n-dodecane 0.96
    diethylene glycol 24.36
    diisopropyl ether 7.26
    tert-amyl alcohol 5.51
    acetylacetone 50.59
    n-hexadecane 1.19
    acetophenone 37.09
    methyl propionate 43.25
    isopentyl acetate 41.86
    trichloroethylene 223.0
    n-nonanol 10.24
    cyclohexanol 9.99
    benzyl alcohol 20.47
    2-ethylhexanol 11.65
    isooctanol 8.78
    dipropyl ether 21.68
    1,2-dichlorobenzene 45.58
    ethyl lactate 18.07
    propylene carbonate 47.18
    n-methylformamide 22.16
    2-pentanol 4.84
    n-pentane 0.72
    1-propoxy-2-propanol 32.31
    1-methoxy-2-propyl acetate 60.06
    2-(2-methoxypropoxy) propanol 35.28
    mesitylene 7.24
    ε-caprolactone 65.86
    p-cymene 9.52
    epichlorohydrin 155.68
    1,1,1-trichloroethane 62.55
    2-aminoethanol 2.77
    morpholine-4-carbaldehyde 96.42
    sulfolane 89.6
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 56.86
    n-hexyl acetate 35.7
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 42.47
    sec-butyl acetate 26.36
    tert-butyl acetate 28.06
    decalin 1.58
    glycerin 3.91
    diglyme 90.58
    acrylic acid 12.83
    isopropyl myristate 17.91
    n-butyric acid 23.9
    acetyl acetate 33.36
    di(2-ethylhexyl) phthalate 20.07
    ethyl propionate 35.84
    nitromethane 65.0
    1,2-diethoxyethane 46.83
    benzonitrile 31.68
    trioctyl phosphate 13.52
    1-bromopropane 32.76
    gamma-valerolactone 136.85
    n-decanol 7.77
    triethyl phosphate 24.29
    4-methyl-2-pentanol 5.45
    propionitrile 19.75
    vinylene carbonate 61.22
    1,1,2-trichlorotrifluoroethane 71.81
    DMS 47.56
    cumene 7.78
    2-octanol 5.7
    2-hexanone 33.55
    octyl acetate 20.88
    limonene 10.62
    1,2-dimethoxyethane 66.49
    ethyl orthosilicate 23.73
    tributyl phosphate 18.25
    diacetone alcohol 23.92
    N,N-dimethylaniline 19.35
    acrylonitrile 26.69
    aniline 24.2
    1,3-propanediol 6.67
    bromobenzene 54.97
    dibromomethane 90.59
    1,1,2,2-tetrachloroethane 146.0
    2-methyl-cyclohexyl acetate 32.6
    tetrabutyl urea 25.17
    diisobutyl methanol 7.42
    2-phenylethanol 26.17
    styrene 14.35
    dioctyl adipate 28.39
    dimethyl sulfate 48.57
    ethyl butyrate 35.78
    methyl lactate 16.88
    butyl lactate 22.31
    diethyl carbonate 27.63
    propanediol butyl ether 15.54
    triethyl orthoformate 33.7
    p-tert-butyltoluene 8.22
    methyl 4-tert-butylbenzoate 33.63
    morpholine 63.71
    tert-butylamine 3.34
    n-dodecanol 6.06
    dimethoxymethane 62.81
    ethylene carbonate 51.69
    cyrene 36.98
    2-ethoxyethyl acetate 56.95
    2-ethylhexyl acetate 37.44
    1,2,4-trichlorobenzene 55.25
    4-methylpyridine 62.58
    dibutyl ether 18.44
    2,6-dimethyl-4-heptanol 7.42
    DEF 44.29
    dimethyl isosorbide 80.94
    tetrachloroethylene 77.82
    eugenol 31.16
    triacetin 46.72
    span 80 23.8
    1,4-butanediol 3.27
    1,1-dichloroethane 63.31
    2-methyl-1-pentanol 9.15
    methyl formate 23.67
    2-methyl-1-butanol 7.25
    n-decane 1.67
    butyronitrile 18.45
    3,7-dimethyl-1-octanol 10.61
    1-chlorooctane 8.56
    1-chlorotetradecane 3.98
    n-nonane 1.29
    undecane 1.22
    tert-butylcyclohexane 1.34
    cyclooctane 0.83
    cyclopentanol 11.05
    tetrahydropyran 48.58
    tert-amyl methyl ether 12.73
    2,5,8-trioxanonane 64.56
    1-hexene 4.49
    2-isopropoxyethanol 21.6
    2,2,2-trifluoroethanol 9.26
    methyl butyrate 40.68

    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