Epihesperidin

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  • Identifiers

    CAS number
    369593-42-0

    Molecular formula
    C28H34O15

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.38%
    Vanilla 37.74%
    Sweet 33.27%
    Milky 23.69%
    Phenolic 21.72%
    Creamy 21.06%
    Spicy 20.09%
    Savory 20.05%
    Smoky 18.98%
    Dairy 17.3%

     

    Flavor
    Bitter 71.68%
    Bland 33.81%
    Odorless 30.32%
    Sweet-like 28.2%
    Cedarleaf 20.71%
    Parsley 19.86%
    Eugenol 19.57%
    Very mild 19.45%
    Lovage 19.24%
    Cauliflower 19.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    7.12 (neutral)

    Molecular weight
    610.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4981°C

    Flash point

    • 254.87 ˚C est.

  • Synonyms

    • Epihesperidin
    • 369593-42-0
    • C28H34O15
    • (2R)-Hesperidin
    • CHEMBL4483798
    • DTXSID901350037
    • MFCD08273783
    • AKOS025310165
    • GS-3612
    • Q63399109
    • (2R)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
    • (2R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
    • (R)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
    • 369593-42-0

  • Applications

    Epihesperidin (CAS 369593-42-0) is a citrus-derived flavonoid glycoside. In industry, it is primarily used as a synthetic intermediate or starting material for the preparation of hesperidin-related derivatives in pharmaceutical research. It is also evaluated for cosmetic and personal-care applications as an antioxidant-active ingredient in formulations, and may be used as a natural antioxidant component in nutraceuticals or dietary supplements derived from citrus sources. In food processing, it is often assessed for antioxidant properties in model systems and as part of citrus extracts. It can serve as an analytical reference standard for both HPLC and LC-MS analyses to quantify citrus flavonoids. In industrial chemistry, epihesperidin may be employed as a building block for the synthesis of related flavonoids; its use depends on regulatory requirements and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.33
    methanol 4.78
    isopropanol 0.1
    water 0.01
    ethyl acetate 0.2
    n-propanol 0.82
    acetone 0.28
    n-butanol 0.87
    acetonitrile 0.1
    DMF 12.83
    toluene 0.04
    isobutanol 0.23
    1,4-dioxane 1.97
    methyl acetate 0.34
    THF 2.36
    2-butanone 0.57
    n-pentanol 0.18
    sec-butanol 0.27
    n-hexane 0.0
    ethylene glycol 2.5
    NMP 11.64
    cyclohexane 0.0
    DMSO 15.41
    n-butyl acetate 0.06
    n-octanol 0.22
    chloroform 0.12
    n-propyl acetate 0.07
    acetic acid 2.28
    dichloromethane 0.15
    cyclohexanone 1.06
    propylene glycol 3.97
    isopropyl acetate 0.08
    DMAc 10.15
    2-ethoxyethanol 4.42
    isopentanol 0.25
    n-heptane 0.0
    ethyl formate 0.67
    1,2-dichloroethane 0.12
    n-hexanol 0.08
    2-methoxyethanol 19.75
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.19
    transcutol 7.78
    n-heptanol 0.21
    ethylbenzene 0.01
    MIBK 0.12
    2-propoxyethanol 2.37
    tert-butanol 0.07
    MTBE 0.05
    2-butoxyethanol 2.26
    propionic acid 0.94
    o-xylene 0.02
    formic acid 9.45
    diethyl ether 0.12
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.03
    dimethyl carbonate 0.59
    n-octane 0.0
    formamide 6.37
    cyclopentanone 1.89
    2-pentanone 0.41
    anisole 0.09
    cyclopentyl methyl ether 0.28
    gamma-butyrolactone 2.59
    1-methoxy-2-propanol 6.46
    pyridine 0.68
    3-pentanone 0.27
    furfural 4.15
    n-dodecane 0.0
    diethylene glycol 4.49
    diisopropyl ether 0.01
    tert-amyl alcohol 0.14
    acetylacetone 0.67
    n-hexadecane 0.0
    acetophenone 0.14
    methyl propionate 0.54
    isopentyl acetate 0.05
    trichloroethylene 0.28
    n-nonanol 0.23
    cyclohexanol 0.23
    benzyl alcohol 0.24
    2-ethylhexanol 0.04
    isooctanol 0.11
    dipropyl ether 0.09
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.43
    propylene carbonate 0.55
    n-methylformamide 6.42
    2-pentanol 0.14
    n-pentane 0.0
    1-propoxy-2-propanol 1.03
    1-methoxy-2-propyl acetate 0.4
    2-(2-methoxypropoxy) propanol 1.87
    mesitylene 0.01
    ε-caprolactone 1.28
    p-cymene 0.01
    epichlorohydrin 2.51
    1,1,1-trichloroethane 0.02
    2-aminoethanol 3.78
    morpholine-4-carbaldehyde 15.41
    sulfolane 8.5
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.45
    n-hexyl acetate 0.25
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.46
    sec-butyl acetate 0.04
    tert-butyl acetate 0.09
    decalin 0.0
    glycerin 17.26
    diglyme 6.18
    acrylic acid 1.85
    isopropyl myristate 0.06
    n-butyric acid 1.07
    acetyl acetate 0.14
    di(2-ethylhexyl) phthalate 0.17
    ethyl propionate 0.11
    nitromethane 4.42
    1,2-diethoxyethane 0.42
    benzonitrile 0.08
    trioctyl phosphate 0.12
    1-bromopropane 0.04
    gamma-valerolactone 12.81
    n-decanol 0.13
    triethyl phosphate 0.09
    4-methyl-2-pentanol 0.04
    propionitrile 0.16
    vinylene carbonate 0.75
    1,1,2-trichlorotrifluoroethane 7.43
    DMS 0.2
    cumene 0.01
    2-octanol 0.1
    2-hexanone 0.11
    octyl acetate 0.13
    limonene 0.02
    1,2-dimethoxyethane 3.47
    ethyl orthosilicate 0.08
    tributyl phosphate 0.09
    diacetone alcohol 0.7
    N,N-dimethylaniline 0.06
    acrylonitrile 0.39
    aniline 0.17
    1,3-propanediol 4.98
    bromobenzene 0.02
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.25
    2-methyl-cyclohexyl acetate 0.06
    tetrabutyl urea 0.24
    diisobutyl methanol 0.02
    2-phenylethanol 0.1
    styrene 0.01
    dioctyl adipate 0.19
    dimethyl sulfate 1.89
    ethyl butyrate 0.1
    methyl lactate 2.74
    butyl lactate 0.58
    diethyl carbonate 0.06
    propanediol butyl ether 3.22
    triethyl orthoformate 0.14
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.47
    morpholine 3.49
    tert-butylamine 0.02
    n-dodecanol 0.07
    dimethoxymethane 4.51
    ethylene carbonate 0.45
    cyrene 2.72
    2-ethoxyethyl acetate 0.68
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.3
    dibutyl ether 0.1
    2,6-dimethyl-4-heptanol 0.02
    DEF 1.35
    dimethyl isosorbide 1.85
    tetrachloroethylene 0.17
    eugenol 0.72
    triacetin 0.63
    span 80 1.6
    1,4-butanediol 0.84
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.1
    methyl formate 4.26
    2-methyl-1-butanol 0.36
    n-decane 0.01
    butyronitrile 0.15
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.36
    tetrahydropyran 0.41
    tert-amyl methyl ether 0.09
    2,5,8-trioxanonane 4.2
    1-hexene 0.0
    2-isopropoxyethanol 0.89
    2,2,2-trifluoroethanol 1.21
    methyl butyrate 0.22

    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