Neohesperidin dihydrochalcone

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  • Identifiers

    CAS number
    20702-77-6

    Molecular formula
    C28H36O15

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O

  • 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.

    • 313 to 313 °F (NTP, 1992)

    Flash point

    • 261.74 ˚C est.

    Solubility expt.

    • Insoluble (<1 mg/ml) (NTP, 1992)
    • Freely soluble in hot water, very slightly soluble in cold water, practically insoluble in ether and benzene

  • Synonyms

    • neohesperidin dihydrochalcone
    • 20702-77-6
    • Nhdc
    • Neohesperidin dc
    • Neohesperidin dhc
    • Neosperidin dihydrochalcone
    • Neohesperidine dihydrochalcone
    • Citrosa
    • neohesperidine DC
    • Neohesperidin-dihydrochalcone
    • CCRIS 4848
    • NCI-C60764
    • neohesperidin dihydrochalone
    • EINECS 243-978-6
    • 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 1-Propanone, 1-[4-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-
    • DTXSID3025706
    • CHEBI:83535
    • 3X476D83QV
    • DTXCID305706
    • FEMA NO. 3811
    • 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
    • 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-me
    • 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
    • NEOHESPERIDIN DIHYDROCHALCONE [MI]
    • NEOHESPERIDIN DIHYDROCHALONE [FHFI]
    • NEOHESPERIDINE DIHYDROCHALCONE [FCC]
    • NEOHESPERIDIN DIHYDROCHALCONE [USP-RS]
    • NEOHESPERIDINE DIHYDROCHALCONE [USP-RS]
    • 1-(4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-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-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
    • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, .beta.-D-
    • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
    • NEOHESPERIDIN-DIHYDROCHALCONE [EP MONOGRAPH]
    • NEOHESPERIDIN DICHALCONE
    • HESPERETIN DIHYDROCHALCONE-4'-.BETA.-NEOHESPERIDOSIDE
    • 1-(4-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-DIHYDROCHALCONE GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)PROPAN-1-ONE
    • 1-(4-((2-O-[6-Deoxy-alpha-L-mannopyranosyl]-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-[3-hydroxy-4-methoxyphenyl]-1-propanone
    • 1-[4-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
    • 1-PROPANONE, 1-(4-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-
    • 1-Propanone, 1-[4-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-
    • 3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • GLUCOPYRANOSIDE, 3,5-DIHYDROXY-4-(3-HYDROXY-4-METHOXYHYDROCINNAMOYL)PHENYL 2-O-.ALPHA.-L-RHAMNOPYRANOSYL-
    • Neohesperidin dihydrochalcone hydrate
    • NEOHESPERIDIN DIHYDROCHALCONE (USP-RS)
    • NEOHESPERIDINE DIHYDROCHALCONE (USP-RS)
    • NEOHESPERIDIN-DIHYDROCHALCONE (EP MONOGRAPH)
    • UNII-3X476D83QV
    • Neohesperidin Dihydrochalcone (Nhdc)
    • 1-(4-((2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-1-PROPANONE
    • 1-(4-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 1-(4-((2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 1-[4-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
    • 3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)propanoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • MFCD00017711
    • Neosperidin-dihydrochalcone
    • NeohesperidinDihydrochalcone
    • SCHEMBL909958
    • CHEMBL1159645
    • HY-N0154R
    • ITVGXXMINPYUHD-CUVHLRMHSA-
    • HMS3884H13
    • NEOHESPORIDIN DIHYDROCHALCONE
    • HY-N0154
    • Tox21_200303
    • s2331
    • AKOS015895239
    • CCG-270237
    • CS-6419
    • ON07510
    • Neohesperidin dihydrochalcone (Standard)
    • NCGC00091109-01
    • NCGC00091109-02
    • NCGC00091109-04
    • NCGC00257857-01
    • 1ST40285
    • AC-34860
    • AS-15190
    • Neohesperidin dihydrochalcone, >=96%, FG
    • CAS-20702-77-6
    • NEOHESPERIDIN DIHYDROCHALCONE [INCI]
    • N0675
    • NS00000402
    • Neohesperidin dihydrochalcone, >=95% (HPLC)
    • Neohesperidin dihydrochalcone, analytical standard
    • Q424595
    • SR-01000883756
    • SR-01000883756-1
    • BRD-K61032563-001-02-9
    • HESPERETIN DIHYDROCHALCONE-4'-BETA-NEOHESPERIDOSIDE
    • Neohesperidin dihydrochalcone, European Pharmacopoeia (EP) Reference Standard
    • 1-(4-((2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-DIHYDROCHALCONE GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)PROPAN-1-ONE
    • 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5
    • 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-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
    • 1-[4-[[2-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
    • 243-978-6
    • 3,5-DIHYDROXY-4-(3-HYDROXY-4-METHOXYHYDROCINNAMOYL)PHENYL-2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
    • BETA-D-2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-3,5-DIHYDROXY-4-(3-HYDROXY-4-METHOXYHYDROCINNAMOYL)PHENYL GLUCOPYRANOSIDE
    • GLUCOPYRANOSIDE, 3,5-DIHYDROXY-4-(3-HYDROXY-4-METHOXYHYDROCINNAMOYL)PHENYL 2-O-ALPHA-L-RHAMNOPYRANOSYL-
    • InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
    • Neohesperidin dihydrochalconeNHDCHesperetin dihydrochalcone-4'-beta-neohesperidosideNeohesperidin DC

  • Applications

    Neohesperidin dihydrochalcone (NHDC, CAS 20702-77-6) is a high-intensity sweetener derived from citrus flavonoids that is widely employed in beverages, yogurts, chewing gums, sugar-free and low-calorie foods owing to sweetness hundreds of times that of sucrose and strong thermal and pH stability; it masks the bitterness of caffeine, herbal extracts and dietary supplements, enabling sugar reduction and diabetic-friendly diets; in pharmaceuticals NHDC enhances the taste of cough syrups, lozenges and chewable tablets, improving patient compliance; in animal feed it boosts palatability, supports growth and can reduce antibiotic reliance; its antioxidant activity allows inclusion in skincare and preservative systems, and as a taste modulator it extends sweetness and suppresses metallic after-tastes from other sweeteners, broadening its versatility across industries.

    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