Neohesperidose

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  • Identifiers

    CAS number
    17074-02-1

    Molecular formula
    C12H22O10

    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]2O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.84%
    Sweet 44.01%
    Caramellic 25.72%
    Woody 23.58%
    Alcoholic 20.06%
    Vanilla 18.77%
    Milky 18.02%
    Burnt 16.31%
    Savory 16.14%
    Smoky 16.1%

     

    Flavor
    Sweet 82.45%
    Odorless 54.64%
    Bitter 44.15%
    Sweet-like 31.38%
    Cauliflower 22.34%
    Very slight 22.07%
    Fatty 21.32%
    Soup 20.73%
    Alkaline 20.54%
    Mentholic 20.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.7

    pKa est.
    4.31 (weak acid)

    Molecular weight
    326.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2263°C

    Flash point

    • 252.56 ˚C est.

  • Synonyms

    • (2S,3R,4R,5R,6S)-2-methyl-6-((2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl)oxy-tetrahydropyran-3,4,5-triol
    • (2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
    • GlyTouCan:G13233ZQ
    • RefChem:1048455
    • DTXCID701841119
    • G13233ZQ
    • 17074-02-1
    • DTXSID20937829
    • Neohesperidose
    • 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
    • C08244
    • alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose
    • Neohesperidoside
    • AC1L9B54
    • 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose
    • SureCN6521257
    • Ambap17074-02-1
    • SCHEMBL6521257
    • CHEBI:73992
    • alpha-L-Rhap-(1->2)-beta-D-Glcp
    • 2-O-alpha-l-rhamnosyl-beta-d-glucose
    • 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose
    • Q3347120
    • 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose
    • 17074-02-1

  • Applications

    Neohesperidose (CAS 17074-02-1) is the disaccharide moiety found in citrus flavonoid glycosides such as hesperidin and neohesperidin. In industry it is encountered mainly as a natural glycoside and serves as a sugar unit for the synthesis of new flavonoid glycosides. It can be isolated from citrus by-products as a research standard and is used as a reference source for glycosylation processes in carbohydrate chemistry. In pharmaceutical and academic settings, neohesperidose is regarded as a glycoside building block for glycosylation studies and can act as an intermediate in the synthesis of citrus-related flavonoid glycosides; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.0
    methanol 11.02
    isopropanol 0.51
    water 334.74
    ethyl acetate 0.3
    n-propanol 0.7
    acetone 0.49
    n-butanol 0.6
    acetonitrile 0.3
    DMF 52.99
    toluene 0.19
    isobutanol 0.29
    1,4-dioxane 2.06
    methyl acetate 0.24
    THF 1.68
    2-butanone 0.29
    n-pentanol 0.24
    sec-butanol 0.43
    n-hexane 0.04
    ethylene glycol 60.73
    NMP 53.32
    cyclohexane 0.34
    DMSO 269.01
    n-butyl acetate 0.22
    n-octanol 0.5
    chloroform 0.09
    n-propyl acetate 0.12
    acetic acid 19.11
    dichloromethane 0.11
    cyclohexanone 1.31
    propylene glycol 17.83
    isopropyl acetate 0.22
    DMAc 28.48
    2-ethoxyethanol 7.08
    isopentanol 0.37
    n-heptane 0.21
    ethyl formate 0.52
    1,2-dichloroethane 0.19
    n-hexanol 0.5
    2-methoxyethanol 28.52
    isobutyl acetate 0.06
    tetrachloromethane 0.08
    n-pentyl acetate 0.31
    transcutol 14.47
    n-heptanol 0.71
    ethylbenzene 0.09
    MIBK 0.29
    2-propoxyethanol 5.23
    tert-butanol 0.59
    MTBE 0.14
    2-butoxyethanol 3.7
    propionic acid 2.12
    o-xylene 0.33
    formic acid 312.57
    diethyl ether 0.28
    m-xylene 0.23
    p-xylene 0.08
    chlorobenzene 0.06
    dimethyl carbonate 1.97
    n-octane 0.11
    formamide 186.04
    cyclopentanone 1.72
    2-pentanone 0.37
    anisole 0.21
    cyclopentyl methyl ether 1.17
    gamma-butyrolactone 3.28
    1-methoxy-2-propanol 11.82
    pyridine 0.91
    3-pentanone 0.42
    furfural 5.96
    n-dodecane 0.05
    diethylene glycol 25.14
    diisopropyl ether 0.12
    tert-amyl alcohol 0.57
    acetylacetone 1.39
    n-hexadecane 0.06
    acetophenone 0.49
    methyl propionate 0.79
    isopentyl acetate 0.19
    trichloroethylene 0.24
    n-nonanol 0.52
    cyclohexanol 1.51
    benzyl alcohol 0.67
    2-ethylhexanol 0.31
    isooctanol 0.45
    dipropyl ether 0.51
    1,2-dichlorobenzene 0.09
    ethyl lactate 1.34
    propylene carbonate 1.27
    n-methylformamide 16.44
    2-pentanol 0.4
    n-pentane 0.09
    1-propoxy-2-propanol 2.87
    1-methoxy-2-propyl acetate 1.38
    2-(2-methoxypropoxy) propanol 4.14
    mesitylene 0.21
    ε-caprolactone 1.7
    p-cymene 0.2
    epichlorohydrin 1.21
    1,1,1-trichloroethane 0.05
    2-aminoethanol 25.44
    morpholine-4-carbaldehyde 33.79
    sulfolane 29.04
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 0.69
    n-hexyl acetate 0.39
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.32
    sec-butyl acetate 0.09
    tert-butyl acetate 0.34
    decalin 0.06
    glycerin 111.01
    diglyme 9.86
    acrylic acid 6.13
    isopropyl myristate 0.18
    n-butyric acid 1.54
    acetyl acetate 0.44
    di(2-ethylhexyl) phthalate 0.43
    ethyl propionate 0.19
    nitromethane 11.18
    1,2-diethoxyethane 0.82
    benzonitrile 0.21
    trioctyl phosphate 0.42
    1-bromopropane 0.07
    gamma-valerolactone 8.45
    n-decanol 0.4
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.24
    propionitrile 0.16
    vinylene carbonate 1.32
    1,1,2-trichlorotrifluoroethane 13.07
    DMS 0.72
    cumene 0.07
    2-octanol 0.38
    2-hexanone 0.13
    octyl acetate 0.3
    limonene 0.34
    1,2-dimethoxyethane 2.99
    ethyl orthosilicate 0.42
    tributyl phosphate 0.32
    diacetone alcohol 2.51
    N,N-dimethylaniline 0.45
    acrylonitrile 0.45
    aniline 0.66
    1,3-propanediol 15.79
    bromobenzene 0.04
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.35
    2-methyl-cyclohexyl acetate 0.32
    tetrabutyl urea 0.82
    diisobutyl methanol 0.3
    2-phenylethanol 0.71
    styrene 0.07
    dioctyl adipate 0.41
    dimethyl sulfate 8.97
    ethyl butyrate 0.28
    methyl lactate 8.11
    butyl lactate 1.12
    diethyl carbonate 0.22
    propanediol butyl ether 5.56
    triethyl orthoformate 0.49
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 1.75
    morpholine 3.76
    tert-butylamine 0.23
    n-dodecanol 0.3
    dimethoxymethane 7.34
    ethylene carbonate 0.92
    cyrene 8.35
    2-ethoxyethyl acetate 0.76
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 0.45
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.3
    DEF 3.45
    dimethyl isosorbide 5.52
    tetrachloroethylene 0.48
    eugenol 2.07
    triacetin 1.33
    span 80 3.85
    1,4-butanediol 4.34
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.18
    methyl formate 6.62
    2-methyl-1-butanol 0.39
    n-decane 0.1
    butyronitrile 0.14
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.14
    1-chlorotetradecane 0.07
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.03
    cyclooctane 0.22
    cyclopentanol 1.35
    tetrahydropyran 0.68
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 9.59
    1-hexene 0.05
    2-isopropoxyethanol 2.12
    2,2,2-trifluoroethanol 16.35
    methyl butyrate 0.27

    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