1-(4-{[4,5-Dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

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  • Identifiers

    CAS number
    202465-77-8

    Molecular formula
    C28H36O15

    SMILES
    CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 76.75%
    Vanilla 32.57%
    Sweet 29.03%
    Milky 23.85%
    Savory 21.82%
    Creamy 19.01%
    Phenolic 18.73%
    Spicy 17.58%
    Balsamic 17.44%
    Bitter 16.95%

     

    Flavor
    Bitter 67.2%
    Odorless 38.25%
    Bland 36.86%
    Sweet-like 28.8%
    Cedarleaf 20.84%
    Very mild 20.4%
    Parsley 20.21%
    Eugenol 19.9%
    Lovage 19.49%
    Very slight 19.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.08 (neutral)

    Molecular weight
    612.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4765°C

    Melting point expt.

    • 156.00 to 158.00 °C. @ 760.00 mm Hg

    Flash point

    • 261.74 ˚C est.

  • Synonyms

    • Dihydrohesperetin-7-O-neohesperidoside
    • 3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
    • C28H36O15
    • E959
    • NHDHC
    • 1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • MLS006011820
    • CHEMBL174778
    • SCHEMBL12749760
    • FEMA 3811
    • DTXSID30860255
    • HMS5080D12
    • BB_NC-02604
    • BBL027894
    • MFCD00023851
    • STL146393
    • AKOS005721011
    • SMR004703494
    • VS-08612
    • 1-(4-((4,5-dihydroxy-6-(hydroxymethyl)-3-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 1-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(3-hydroxy-4-methoxy-phenyl)propan-1-one
    • 202465-77-8
    • 1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

  • Applications

    Chemical name: 1-(4-{[4,5-Dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one; CAS number: 202465-77-8. This polyphenolic glycoside-containing compound is typically used as an intermediate and antioxidant-building block in specialty chemical syntheses. In cosmetics/personal care, it may serve as an antioxidant scaffold and a source for glycosylated polyphenol derivatives to enhance formulation stability. In pharmaceuticals, it is commonly evaluated as an intermediate for the synthesis of polyphenol-based drug candidates or glycosylated phenylpropanoid derivatives. In polymers/plastics, it may be explored as an antioxidant or stabilizer to improve aging resistance and color retention in polymer matrices. In coatings/inks, it can function as an antioxidant additive or precursor for durable, UV-stable surface systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.71
    methanol 15.31
    isopropanol 0.46
    water 0.1
    ethyl acetate 0.48
    n-propanol 2.26
    acetone 1.13
    n-butanol 1.45
    acetonitrile 0.29
    DMF 26.98
    toluene 0.1
    isobutanol 0.55
    1,4-dioxane 3.75
    methyl acetate 0.84
    THF 5.72
    2-butanone 1.45
    n-pentanol 0.47
    sec-butanol 0.68
    n-hexane 0.0
    ethylene glycol 8.96
    NMP 28.12
    cyclohexane 0.01
    DMSO 50.38
    n-butyl acetate 0.13
    n-octanol 0.36
    chloroform 0.24
    n-propyl acetate 0.16
    acetic acid 8.79
    dichloromethane 0.37
    cyclohexanone 2.46
    propylene glycol 10.7
    isopropyl acetate 0.19
    DMAc 23.31
    2-ethoxyethanol 7.31
    isopentanol 0.48
    n-heptane 0.01
    ethyl formate 1.19
    1,2-dichloroethane 0.31
    n-hexanol 0.22
    2-methoxyethanol 32.53
    isobutyl acetate 0.06
    tetrachloromethane 0.04
    n-pentyl acetate 0.32
    transcutol 9.37
    n-heptanol 0.41
    ethylbenzene 0.03
    MIBK 0.28
    2-propoxyethanol 4.34
    tert-butanol 0.24
    MTBE 0.13
    2-butoxyethanol 3.14
    propionic acid 2.75
    o-xylene 0.07
    formic acid 31.0
    diethyl ether 0.34
    m-xylene 0.05
    p-xylene 0.02
    chlorobenzene 0.05
    dimethyl carbonate 1.59
    n-octane 0.01
    formamide 21.16
    cyclopentanone 4.38
    2-pentanone 0.87
    anisole 0.17
    cyclopentyl methyl ether 0.68
    gamma-butyrolactone 5.7
    1-methoxy-2-propanol 11.25
    pyridine 1.51
    3-pentanone 0.7
    furfural 6.21
    n-dodecane 0.0
    diethylene glycol 9.06
    diisopropyl ether 0.03
    tert-amyl alcohol 0.36
    acetylacetone 1.43
    n-hexadecane 0.01
    acetophenone 0.29
    methyl propionate 1.33
    isopentyl acetate 0.1
    trichloroethylene 0.62
    n-nonanol 0.36
    cyclohexanol 0.59
    benzyl alcohol 0.5
    2-ethylhexanol 0.09
    isooctanol 0.21
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.06
    ethyl lactate 0.86
    propylene carbonate 1.17
    n-methylformamide 13.7
    2-pentanol 0.31
    n-pentane 0.01
    1-propoxy-2-propanol 1.77
    1-methoxy-2-propyl acetate 0.76
    2-(2-methoxypropoxy) propanol 2.47
    mesitylene 0.02
    ε-caprolactone 2.42
    p-cymene 0.02
    epichlorohydrin 4.56
    1,1,1-trichloroethane 0.06
    2-aminoethanol 10.26
    morpholine-4-carbaldehyde 23.5
    sulfolane 20.32
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.08
    n-hexyl acetate 0.41
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.01
    sec-butyl acetate 0.08
    tert-butyl acetate 0.21
    decalin 0.0
    glycerin 34.45
    diglyme 7.05
    acrylic acid 5.14
    isopropyl myristate 0.09
    n-butyric acid 2.2
    acetyl acetate 0.3
    di(2-ethylhexyl) phthalate 0.27
    ethyl propionate 0.23
    nitromethane 10.7
    1,2-diethoxyethane 0.63
    benzonitrile 0.16
    trioctyl phosphate 0.21
    1-bromopropane 0.1
    gamma-valerolactone 18.6
    n-decanol 0.21
    triethyl phosphate 0.17
    4-methyl-2-pentanol 0.1
    propionitrile 0.32
    vinylene carbonate 1.51
    1,1,2-trichlorotrifluoroethane 13.04
    DMS 0.47
    cumene 0.02
    2-octanol 0.17
    2-hexanone 0.27
    octyl acetate 0.22
    limonene 0.04
    1,2-dimethoxyethane 4.55
    ethyl orthosilicate 0.15
    tributyl phosphate 0.16
    diacetone alcohol 1.55
    N,N-dimethylaniline 0.14
    acrylonitrile 0.77
    aniline 0.41
    1,3-propanediol 10.24
    bromobenzene 0.03
    dibromomethane 0.14
    1,1,2,2-tetrachloroethane 0.55
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.4
    diisobutyl methanol 0.05
    2-phenylethanol 0.25
    styrene 0.03
    dioctyl adipate 0.3
    dimethyl sulfate 4.87
    ethyl butyrate 0.18
    methyl lactate 5.76
    butyl lactate 0.97
    diethyl carbonate 0.11
    propanediol butyl ether 4.21
    triethyl orthoformate 0.23
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.82
    morpholine 6.94
    tert-butylamine 0.05
    n-dodecanol 0.12
    dimethoxymethane 9.27
    ethylene carbonate 0.93
    cyrene 4.74
    2-ethoxyethyl acetate 1.02
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.57
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.71
    dimethyl isosorbide 2.93
    tetrachloroethylene 0.45
    eugenol 1.12
    triacetin 1.06
    span 80 2.33
    1,4-butanediol 2.32
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.23
    methyl formate 8.71
    2-methyl-1-butanol 0.63
    n-decane 0.01
    butyronitrile 0.24
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.05
    tetrahydropyran 1.0
    tert-amyl methyl ether 0.22
    2,5,8-trioxanonane 4.9
    1-hexene 0.02
    2-isopropoxyethanol 1.69
    2,2,2-trifluoroethanol 4.11
    methyl butyrate 0.4

    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