Hesperidin methylchalcone

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  • Identifiers

    CAS number
    24292-52-2

    Molecular formula
    C29H36O15

    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(=C(C(=C3)OC)C(=O)/C=C/C4=CC(=C(C=C4)OC)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.86%
    Vanilla 36.34%
    Sweet 32.23%
    Milky 24.75%
    Savory 22.35%
    Spicy 22.05%
    Creamy 19.78%
    Balsamic 17.62%
    Dairy 17.19%
    Phenolic 17.07%

     

    Flavor
    Bitter 80.05%
    Bland 35.32%
    Odorless 32.21%
    Sweet-like 25.92%
    Cedarleaf 20.45%
    Parsley 19.87%
    Lovage 19.31%
    Very mild 18.98%
    Eugenol 18.83%
    Nitrile 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.47 (neutral)

    Molecular weight
    624.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4902°C

    Flash point

    • 260.6 ˚C est.

  • Synonyms

    • Hesperidin methylchalcone
    • 24292-52-2
    • Hesperidin methyl chalcone
    • EYELISS
    • hesperidine methylchalcone
    • 4T2GVA922X
    • DTXSID90885262
    • (E)-1-(4-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
    • 2-Propen-1-one, 1-(4-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-, (2E)-
    • (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
    • (E)-1-[4-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
    • (E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2-hydroxy-6-methoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxyphenyl)prop-2-en-1-one
    • RefChem:145828
    • DTXCID401024653
    • 246-128-2
    • MFCD00010438
    • (E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-hydroxy-6-methoxy-4-(((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)phenyl)prop-2-en-1-one
    • 3-hydroxy-4-[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-5-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • EINECS 246-128-2
    • UNII-4T2GVA922X
    • FDHNLHLOJLLXDH-JIYHLSBYSA-N
    • Hesperidine Methyl Chalcone
    • orb1685428
    • SCHEMBL3452314
    • CHEMBL5435071
    • SCHEMBL30382561
    • SCHEMBL30401436
    • STK801860
    • AKOS015895097
    • OH34622
    • 1-(4-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
    • 2-Propen-1-one, 1-[4-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-, (2E)-
    • Chalcone, 2',3,4'-trihydroxy-4,6'-dimethoxy-, 4'-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)
    • HESPERIDIN METHYL CHALCONE [VANDF]
    • MS-30814
    • SY272358
    • HESPERIDIN METHYL CHALCONE [WHO-DD]
    • HY-126382
    • CS-0103227
    • S6426
    • E78222
    • W-107335
    • Q27260452
    • (e)-osyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)
    • (E)-1-(4-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-HYDROXY-6-METHOXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPEN-1-ONE
    • (E)-1-[4-[[6-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-2-hy droxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
    • (E)-1-[4-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- 2-propen-1-one
    • (E)-3-(3-hydroxy-4-methoxy-phenyl)-1-[2-hydroxy-6-methoxy-4-[(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-phenyl]prop-2-en-1-one
    • 2-PROPEN-1-ONE,1-(4-((6-O-(6-DEOXY-ALFA-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-HYDROXY-6-METHOXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-, (E)-
    • 2920400-88-8
    • 24292-52-2

  • Applications

    Hesperidin methylchalcone (CAS 24292-52-2) is a flavonoid-derived compound used primarily as an antioxidant and stabilizer in cosmetic formulations, and is also evaluated as a functional additive in polymer and coating systems to mitigate oxidation and degradation; it can serve as an intermediate or research reagent in pharmaceutical synthesis and may be evaluated for use in coatings and inks where oxidative stability is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.8
    methanol 8.78
    isopropanol 0.66
    water 0.04
    ethyl acetate 0.41
    n-propanol 2.58
    acetone 1.58
    n-butanol 1.67
    acetonitrile 0.3
    DMF 17.87
    toluene 0.1
    isobutanol 0.66
    1,4-dioxane 3.88
    methyl acetate 0.81
    THF 7.64
    2-butanone 1.79
    n-pentanol 0.6
    sec-butanol 0.86
    n-hexane 0.01
    ethylene glycol 5.21
    NMP 18.16
    cyclohexane 0.01
    DMSO 48.33
    n-butyl acetate 0.11
    n-octanol 0.38
    chloroform 0.32
    n-propyl acetate 0.17
    acetic acid 6.53
    dichloromethane 0.45
    cyclohexanone 2.52
    propylene glycol 6.7
    isopropyl acetate 0.17
    DMAc 17.19
    2-ethoxyethanol 6.45
    isopentanol 0.53
    n-heptane 0.01
    ethyl formate 1.1
    1,2-dichloroethane 0.36
    n-hexanol 0.22
    2-methoxyethanol 21.77
    isobutyl acetate 0.06
    tetrachloromethane 0.05
    n-pentyl acetate 0.3
    transcutol 6.51
    n-heptanol 0.39
    ethylbenzene 0.03
    MIBK 0.28
    2-propoxyethanol 3.31
    tert-butanol 0.31
    MTBE 0.15
    2-butoxyethanol 2.62
    propionic acid 2.16
    o-xylene 0.06
    formic acid 14.54
    diethyl ether 0.39
    m-xylene 0.05
    p-xylene 0.03
    chlorobenzene 0.06
    dimethyl carbonate 1.06
    n-octane 0.01
    formamide 11.68
    cyclopentanone 4.82
    2-pentanone 0.96
    anisole 0.18
    cyclopentyl methyl ether 0.67
    gamma-butyrolactone 4.95
    1-methoxy-2-propanol 8.02
    pyridine 1.66
    3-pentanone 0.68
    furfural 4.81
    n-dodecane 0.01
    diethylene glycol 5.37
    diisopropyl ether 0.03
    tert-amyl alcohol 0.4
    acetylacetone 1.33
    n-hexadecane 0.01
    acetophenone 0.29
    methyl propionate 1.07
    isopentyl acetate 0.08
    trichloroethylene 0.68
    n-nonanol 0.38
    cyclohexanol 0.64
    benzyl alcohol 0.52
    2-ethylhexanol 0.09
    isooctanol 0.2
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.05
    ethyl lactate 0.66
    propylene carbonate 0.94
    n-methylformamide 9.53
    2-pentanol 0.35
    n-pentane 0.01
    1-propoxy-2-propanol 1.39
    1-methoxy-2-propyl acetate 0.52
    2-(2-methoxypropoxy) propanol 1.97
    mesitylene 0.02
    ε-caprolactone 2.16
    p-cymene 0.02
    epichlorohydrin 4.69
    1,1,1-trichloroethane 0.07
    2-aminoethanol 6.77
    morpholine-4-carbaldehyde 16.16
    sulfolane 15.35
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.29
    n-hexyl acetate 0.38
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.13
    sec-butyl acetate 0.08
    tert-butyl acetate 0.17
    decalin 0.0
    glycerin 17.84
    diglyme 5.49
    acrylic acid 3.41
    isopropyl myristate 0.09
    n-butyric acid 1.77
    acetyl acetate 0.24
    di(2-ethylhexyl) phthalate 0.23
    ethyl propionate 0.21
    nitromethane 7.92
    1,2-diethoxyethane 0.58
    benzonitrile 0.16
    trioctyl phosphate 0.18
    1-bromopropane 0.14
    gamma-valerolactone 16.01
    n-decanol 0.22
    triethyl phosphate 0.13
    4-methyl-2-pentanol 0.11
    propionitrile 0.37
    vinylene carbonate 1.13
    1,1,2-trichlorotrifluoroethane 9.83
    DMS 0.35
    cumene 0.02
    2-octanol 0.18
    2-hexanone 0.32
    octyl acetate 0.21
    limonene 0.04
    1,2-dimethoxyethane 4.61
    ethyl orthosilicate 0.12
    tributyl phosphate 0.14
    diacetone alcohol 1.3
    N,N-dimethylaniline 0.14
    acrylonitrile 0.77
    aniline 0.42
    1,3-propanediol 7.74
    bromobenzene 0.04
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 0.61
    2-methyl-cyclohexyl acetate 0.11
    tetrabutyl urea 0.36
    diisobutyl methanol 0.04
    2-phenylethanol 0.22
    styrene 0.03
    dioctyl adipate 0.28
    dimethyl sulfate 3.08
    ethyl butyrate 0.15
    methyl lactate 3.61
    butyl lactate 0.75
    diethyl carbonate 0.09
    propanediol butyl ether 3.12
    triethyl orthoformate 0.2
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.66
    morpholine 7.69
    tert-butylamine 0.07
    n-dodecanol 0.12
    dimethoxymethane 6.98
    ethylene carbonate 0.73
    cyrene 3.45
    2-ethoxyethyl acetate 0.88
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.62
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.04
    DEF 2.16
    dimethyl isosorbide 1.95
    tetrachloroethylene 0.44
    eugenol 0.84
    triacetin 0.79
    span 80 1.8
    1,4-butanediol 1.92
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.27
    methyl formate 6.09
    2-methyl-1-butanol 0.71
    n-decane 0.01
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.23
    tetrahydropyran 1.24
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 3.68
    1-hexene 0.02
    2-isopropoxyethanol 1.66
    2,2,2-trifluoroethanol 2.63
    methyl butyrate 0.37

    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