Hesperetin dihydrochalcone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    35400-60-3

    Molecular formula
    C16H16O6

    SMILES
    COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 59.81%
    Phenolic 44.23%
    Vanilla 30.9%
    Spicy 30.52%
    Balsamic 28.7%
    Burnt 24.94%
    Smoky 24.26%
    Sweet 23.9%
    Savory 22.85%
    Milky 21.22%

     

    Flavor
    Bitter 83.02%
    Odorless 37.04%
    Bland 31.0%
    Mild 25.21%
    Sweet-like 22.45%
    Parsley 21.57%
    Cedarleaf 21.38%
    Lovage 21.04%
    Eugenol 20.86%
    Ethyl benzoate 20.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.45 (weak base)

    Molecular weight
    304.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    514°C

    Flash point

    • 233.28 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Hesperetin dihydrochalcone
    • 35400-60-3
    • 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
    • 6FQ3Q8SSB7
    • UNII-6FQ3Q8SSB7
    • FEMA NO. 4872
    • DTXSID90188886
    • 3-(3-Hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone
    • 1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
    • RefChem:145827
    • DTXCID50111377
    • 4-Methoxy-2',4',6',3-tetrahydroxydihydrochalcone
    • CHEMBL133081
    • orb2893345
    • SCHEMBL10328452
    • SCHEMBL29386339
    • FM66072
    • HY-W510941
    • Neohesperidin-Dihydrochalcone EP Impurity G
    • E89220
    • 3-(3-Hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
    • 35400-60-3

  • Applications

    Hesperetin dihydrochalcone (CAS 35400-60-3) is a synthetic building block and flavonoid-based intermediate considered for multiple industrial applications: it may serve as a fragrance and flavor ingredient or intermediate; it is evaluated for cosmetic and personal-care formulations for its antioxidant properties and potential activity in skin care products; it acts as an intermediate in pharmaceutical synthesis involving flavonoid derivatives; it is studied as a stabilizer or antioxidant additive for polymers and coatings to improve product longevity; and it may be considered for specialized formulations in coatings and related applications where flavonoid-type dihydrochalcone derivatives are advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.85
    methanol 86.2
    isopropanol 40.53
    water 0.01
    ethyl acetate 47.22
    n-propanol 49.15
    acetone 158.23
    n-butanol 36.77
    acetonitrile 27.12
    DMF 415.12
    toluene 1.36
    isobutanol 22.24
    1,4-dioxane 66.01
    methyl acetate 39.71
    THF 908.78
    2-butanone 86.25
    n-pentanol 22.05
    sec-butanol 27.07
    n-hexane 0.16
    ethylene glycol 34.92
    NMP 161.42
    cyclohexane 0.12
    DMSO 3035.42
    n-butyl acetate 15.86
    n-octanol 6.07
    chloroform 2.32
    n-propyl acetate 18.85
    acetic acid 61.46
    dichloromethane 2.64
    cyclohexanone 61.76
    propylene glycol 64.55
    isopropyl acetate 26.61
    DMAc 274.77
    2-ethoxyethanol 130.8
    isopentanol 24.72
    n-heptane 0.23
    ethyl formate 30.51
    1,2-dichloroethane 6.19
    n-hexanol 15.44
    2-methoxyethanol 405.05
    isobutyl acetate 7.08
    tetrachloromethane 0.39
    n-pentyl acetate 7.71
    transcutol 156.57
    n-heptanol 6.69
    ethylbenzene 0.89
    MIBK 35.0
    2-propoxyethanol 126.97
    tert-butanol 56.73
    MTBE 15.51
    2-butoxyethanol 31.62
    propionic acid 34.85
    o-xylene 1.16
    formic acid 48.76
    diethyl ether 22.02
    m-xylene 1.46
    p-xylene 0.86
    chlorobenzene 1.35
    dimethyl carbonate 44.08
    n-octane 0.1
    formamide 130.0
    cyclopentanone 229.23
    2-pentanone 84.2
    anisole 8.91
    cyclopentyl methyl ether 51.56
    gamma-butyrolactone 214.52
    1-methoxy-2-propanol 305.66
    pyridine 15.31
    3-pentanone 34.46
    furfural 78.57
    n-dodecane 0.17
    diethylene glycol 137.31
    diisopropyl ether 3.33
    tert-amyl alcohol 30.03
    acetylacetone 121.72
    n-hexadecane 0.2
    acetophenone 12.3
    methyl propionate 64.03
    isopentyl acetate 12.94
    trichloroethylene 9.85
    n-nonanol 6.55
    cyclohexanol 17.7
    benzyl alcohol 11.68
    2-ethylhexanol 6.3
    isooctanol 5.44
    dipropyl ether 12.17
    1,2-dichlorobenzene 1.74
    ethyl lactate 29.32
    propylene carbonate 42.01
    n-methylformamide 169.88
    2-pentanol 19.88
    n-pentane 0.15
    1-propoxy-2-propanol 69.42
    1-methoxy-2-propyl acetate 51.01
    2-(2-methoxypropoxy) propanol 42.08
    mesitylene 0.96
    ε-caprolactone 47.89
    p-cymene 1.19
    epichlorohydrin 190.57
    1,1,1-trichloroethane 2.52
    2-aminoethanol 70.05
    morpholine-4-carbaldehyde 134.81
    sulfolane 471.55
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 85.06
    n-hexyl acetate 12.34
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 58.4
    sec-butyl acetate 10.7
    tert-butyl acetate 35.67
    decalin 0.15
    glycerin 155.99
    diglyme 101.27
    acrylic acid 35.44
    isopropyl myristate 5.79
    n-butyric acid 44.84
    acetyl acetate 21.52
    di(2-ethylhexyl) phthalate 6.96
    ethyl propionate 23.16
    nitromethane 242.66
    1,2-diethoxyethane 26.08
    benzonitrile 6.25
    trioctyl phosphate 6.04
    1-bromopropane 2.84
    gamma-valerolactone 218.42
    n-decanol 4.99
    triethyl phosphate 9.98
    4-methyl-2-pentanol 10.35
    propionitrile 22.75
    vinylene carbonate 27.24
    1,1,2-trichlorotrifluoroethane 91.91
    DMS 17.24
    cumene 0.71
    2-octanol 4.07
    2-hexanone 27.1
    octyl acetate 7.7
    limonene 2.29
    1,2-dimethoxyethane 155.95
    ethyl orthosilicate 8.34
    tributyl phosphate 7.2
    diacetone alcohol 100.64
    N,N-dimethylaniline 5.78
    acrylonitrile 34.78
    aniline 6.51
    1,3-propanediol 115.12
    bromobenzene 0.87
    dibromomethane 1.52
    1,1,2,2-tetrachloroethane 11.06
    2-methyl-cyclohexyl acetate 10.63
    tetrabutyl urea 11.62
    diisobutyl methanol 5.63
    2-phenylethanol 11.71
    styrene 0.91
    dioctyl adipate 11.48
    dimethyl sulfate 99.45
    ethyl butyrate 16.45
    methyl lactate 85.51
    butyl lactate 16.24
    diethyl carbonate 9.92
    propanediol butyl ether 33.22
    triethyl orthoformate 13.15
    p-tert-butyltoluene 1.41
    methyl 4-tert-butylbenzoate 18.73
    morpholine 139.1
    tert-butylamine 10.39
    n-dodecanol 3.62
    dimethoxymethane 323.26
    ethylene carbonate 24.6
    cyrene 49.37
    2-ethoxyethyl acetate 18.96
    2-ethylhexyl acetate 7.75
    1,2,4-trichlorobenzene 2.73
    4-methylpyridine 13.09
    dibutyl ether 6.6
    2,6-dimethyl-4-heptanol 5.63
    DEF 69.11
    dimethyl isosorbide 79.41
    tetrachloroethylene 4.41
    eugenol 21.04
    triacetin 20.37
    span 80 26.24
    1,4-butanediol 26.83
    1,1-dichloroethane 2.96
    2-methyl-1-pentanol 13.76
    methyl formate 105.23
    2-methyl-1-butanol 20.6
    n-decane 0.27
    butyronitrile 20.42
    3,7-dimethyl-1-octanol 6.42
    1-chlorooctane 1.85
    1-chlorotetradecane 0.73
    n-nonane 0.2
    undecane 0.21
    tert-butylcyclohexane 0.15
    cyclooctane 0.08
    cyclopentanol 42.04
    tetrahydropyran 36.91
    tert-amyl methyl ether 15.61
    2,5,8-trioxanonane 78.05
    1-hexene 1.04
    2-isopropoxyethanol 52.4
    2,2,2-trifluoroethanol 19.75
    methyl butyrate 30.07

    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