Silyhermin B

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  • Identifiers

    CAS number
    96238-88-9

    Molecular formula
    C25H22O9

    SMILES
    COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)[C@@H]4CC(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

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  • Odor profile

    Fragrance
    Odorless 59.72%
    Vanilla 44.14%
    Phenolic 42.09%
    Sweet 31.18%
    Spicy 30.07%
    Balsamic 27.12%
    Creamy 26.52%
    Milky 24.78%
    Smoky 24.72%
    Burnt 23.23%

     

    Flavor
    Bitter 93.91%
    Bland 28.58%
    Odorless 23.77%
    Sweet-like 22.29%
    Cedarleaf 20.36%
    Parsley 19.95%
    Lovage 19.56%
    Eugenol 18.62%
    Ripe apricot 18.44%
    Nitrile 18.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.44 (weak base)

    Molecular weight
    466.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1810°C

    Flash point

    • 268.81 ˚C est.

  • Synonyms

    • Silyhermin B
    • YI80R3JQ90
    • UNII-YI80R3JQ90
    • 96238-88-9
    • (2R)-2-((2S,3R)-3-(Hydroxymethyl)-2-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-2,3-dihydro-1-benzofuran-5-yl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
    • CHEMBL4076646
    • DTXSID80858703
    • (2S)-5,7-Dihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydro-4H-1-benzopyran-4-one
    • 96238-88-9

  • Applications

    Silyhermin B (CAS 96238-88-9) is primarily described as an intermediate in organic synthesis and as a processing aid in polymers/plastics and coatings/inks; it is also encountered as a specialty additive in cosmetics and personal care products. In industrial formulations, the compound may serve as a precursor or functional component in adhesives, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.88
    methanol 9.55
    isopropanol 1.35
    water 0.03
    ethyl acetate 2.66
    n-propanol 2.99
    acetone 10.32
    n-butanol 2.03
    acetonitrile 3.36
    DMF 130.91
    toluene 0.16
    isobutanol 1.04
    1,4-dioxane 15.0
    methyl acetate 4.05
    THF 38.9
    2-butanone 8.26
    n-pentanol 0.81
    sec-butanol 1.01
    n-hexane 0.01
    ethylene glycol 9.85
    NMP 44.89
    cyclohexane 0.01
    DMSO 183.99
    n-butyl acetate 1.07
    n-octanol 1.44
    chloroform 0.88
    n-propyl acetate 1.44
    acetic acid 21.17
    dichloromethane 1.01
    cyclohexanone 9.53
    propylene glycol 8.88
    isopropyl acetate 1.52
    DMAc 77.91
    2-ethoxyethanol 27.01
    isopentanol 1.03
    n-heptane 0.02
    ethyl formate 5.34
    1,2-dichloroethane 1.03
    n-hexanol 0.4
    2-methoxyethanol 86.12
    isobutyl acetate 0.57
    tetrachloromethane 0.09
    n-pentyl acetate 1.91
    transcutol 32.83
    n-heptanol 1.05
    ethylbenzene 0.08
    MIBK 1.62
    2-propoxyethanol 19.54
    tert-butanol 1.09
    MTBE 0.5
    2-butoxyethanol 10.25
    propionic acid 5.5
    o-xylene 0.11
    formic acid 30.08
    diethyl ether 0.86
    m-xylene 0.1
    p-xylene 0.09
    chlorobenzene 0.23
    dimethyl carbonate 7.69
    n-octane 0.01
    formamide 43.37
    cyclopentanone 25.24
    2-pentanone 4.76
    anisole 1.03
    cyclopentyl methyl ether 2.09
    gamma-butyrolactone 31.0
    1-methoxy-2-propanol 40.74
    pyridine 6.32
    3-pentanone 2.75
    furfural 24.5
    n-dodecane 0.02
    diethylene glycol 29.24
    diisopropyl ether 0.12
    tert-amyl alcohol 0.8
    acetylacetone 12.92
    n-hexadecane 0.03
    acetophenone 1.8
    methyl propionate 5.94
    isopentyl acetate 0.95
    trichloroethylene 3.32
    n-nonanol 1.56
    cyclohexanol 0.84
    benzyl alcohol 1.72
    2-ethylhexanol 0.33
    isooctanol 0.78
    dipropyl ether 0.95
    1,2-dichlorobenzene 0.23
    ethyl lactate 4.1
    propylene carbonate 5.58
    n-methylformamide 49.04
    2-pentanol 0.58
    n-pentane 0.01
    1-propoxy-2-propanol 9.73
    1-methoxy-2-propyl acetate 5.45
    2-(2-methoxypropoxy) propanol 10.63
    mesitylene 0.06
    ε-caprolactone 8.58
    p-cymene 0.09
    epichlorohydrin 29.64
    1,1,1-trichloroethane 0.27
    2-aminoethanol 11.6
    morpholine-4-carbaldehyde 68.14
    sulfolane 59.78
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.7
    n-hexyl acetate 2.56
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 15.44
    sec-butyl acetate 0.61
    tert-butyl acetate 1.74
    decalin 0.01
    glycerin 38.88
    diglyme 31.81
    acrylic acid 10.02
    isopropyl myristate 0.92
    n-butyric acid 6.13
    acetyl acetate 2.62
    di(2-ethylhexyl) phthalate 1.57
    ethyl propionate 1.73
    nitromethane 73.08
    1,2-diethoxyethane 4.52
    benzonitrile 1.29
    trioctyl phosphate 1.28
    1-bromopropane 0.23
    gamma-valerolactone 86.71
    n-decanol 1.0
    triethyl phosphate 0.96
    4-methyl-2-pentanol 0.33
    propionitrile 2.59
    vinylene carbonate 7.04
    1,1,2-trichlorotrifluoroethane 38.82
    DMS 2.95
    cumene 0.05
    2-octanol 0.58
    2-hexanone 1.74
    octyl acetate 1.63
    limonene 0.13
    1,2-dimethoxyethane 30.98
    ethyl orthosilicate 0.81
    tributyl phosphate 1.23
    diacetone alcohol 7.7
    N,N-dimethylaniline 0.59
    acrylonitrile 7.29
    aniline 0.86
    1,3-propanediol 18.18
    bromobenzene 0.14
    dibromomethane 0.32
    1,1,2,2-tetrachloroethane 2.25
    2-methyl-cyclohexyl acetate 0.97
    tetrabutyl urea 2.77
    diisobutyl methanol 0.26
    2-phenylethanol 1.24
    styrene 0.1
    dioctyl adipate 2.32
    dimethyl sulfate 17.88
    ethyl butyrate 1.42
    methyl lactate 15.31
    butyl lactate 4.07
    diethyl carbonate 0.9
    propanediol butyl ether 12.05
    triethyl orthoformate 1.62
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 3.65
    morpholine 24.09
    tert-butylamine 0.19
    n-dodecanol 0.63
    dimethoxymethane 45.83
    ethylene carbonate 4.96
    cyrene 13.84
    2-ethoxyethyl acetate 5.68
    2-ethylhexyl acetate 0.57
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 2.73
    dibutyl ether 1.1
    2,6-dimethyl-4-heptanol 0.26
    DEF 9.9
    dimethyl isosorbide 16.35
    tetrachloroethylene 1.18
    eugenol 5.16
    triacetin 6.34
    span 80 7.26
    1,4-butanediol 4.17
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 0.53
    methyl formate 35.86
    2-methyl-1-butanol 1.03
    n-decane 0.04
    butyronitrile 1.93
    3,7-dimethyl-1-octanol 0.81
    1-chlorooctane 0.26
    1-chlorotetradecane 0.1
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.93
    tetrahydropyran 3.17
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 21.48
    1-hexene 0.03
    2-isopropoxyethanol 7.66
    2,2,2-trifluoroethanol 8.36
    methyl butyrate 2.99

    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