Isoprimeverose

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  • Identifiers

    CAS number
    534-98-5

    Molecular formula
    C11H20O10

    SMILES
    C1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.95%
    Sweet 50.13%
    Caramellic 25.26%
    Alcoholic 18.23%
    Buttery 17.34%
    Savory 16.97%
    Clean 16.67%
    Bitter 16.27%
    Milky 16.02%
    Cooling 15.85%

     

    Flavor
    Odorless 59.81%
    Sweet 51.69%
    Bitter 40.17%
    Sweet-like 33.48%
    Very mild 26.85%
    Bland 24.77%
    Very slight 21.42%
    Cauliflower 20.22%
    Alkaline 19.33%
    Fenugreek 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.0

    pKa est.
    4.09 (weak acid)

    Molecular weight
    312.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2254°C

    Flash point

    • 275.17 ˚C est.

  • Synonyms

    • Isoprimeverose
    • 534-98-5
    • alpha-Xylosyl-(1-6)-glucose
    • RefChem:149782
    • (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexanal
    • D-Glucose, 6-O-alpha-D-xylopyranosyl-
    • 6-O-(a-D-Xylopyranosyl)-D-glucose
    • 6-O-Pentopyranosylhexose
    • DTXSID50968060
    • OI44482
    • (2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-6-(((2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexanal
    • 534-98-5

  • Applications

    Isoprimeverose (CAS 534-98-5) is a glycoside-like sugar derivative used as a building block in carbohydrate chemistry and oligosaccharide synthesis, where it serves as a chemical handle for glycosylation reactions and construction of complex oligosaccharides. In glycoscience analytics, it is commonly evaluated as a reference material and research reagent. It can also be used as a precursor or starting material in fragrance and flavor compound development derived from sugar moieties. In cosmetics and personal care, isoprimeverose may function as a plant-sourced ingredient with humectant-like properties or as a texture-modifying component to aid formulation. In the plastics, polymers, and specialty materials industries, it may be explored as a biobased sugar-functional monomer or crosslinking component for glycopolymers. In pharmaceutical research, it is often evaluated as a glycosylation reagent or linker in small-molecule synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.01
    methanol 5.92
    isopropanol 0.4
    water 641.4
    ethyl acetate 0.22
    n-propanol 0.61
    acetone 0.42
    n-butanol 0.64
    acetonitrile 0.32
    DMF 49.72
    toluene 0.13
    isobutanol 0.25
    1,4-dioxane 1.3
    methyl acetate 0.17
    THF 0.9
    2-butanone 0.28
    n-pentanol 0.19
    sec-butanol 0.43
    n-hexane 0.03
    ethylene glycol 47.04
    NMP 38.85
    cyclohexane 0.27
    DMSO 237.81
    n-butyl acetate 0.1
    n-octanol 0.28
    chloroform 0.04
    n-propyl acetate 0.07
    acetic acid 7.55
    dichloromethane 0.05
    cyclohexanone 0.9
    propylene glycol 14.89
    isopropyl acetate 0.15
    DMAc 26.83
    2-ethoxyethanol 4.49
    isopentanol 0.33
    n-heptane 0.17
    ethyl formate 0.25
    1,2-dichloroethane 0.1
    n-hexanol 0.31
    2-methoxyethanol 21.22
    isobutyl acetate 0.03
    tetrachloromethane 0.04
    n-pentyl acetate 0.13
    transcutol 6.9
    n-heptanol 0.4
    ethylbenzene 0.06
    MIBK 0.21
    2-propoxyethanol 2.81
    tert-butanol 0.43
    MTBE 0.11
    2-butoxyethanol 1.71
    propionic acid 1.34
    o-xylene 0.23
    formic acid 172.26
    diethyl ether 0.22
    m-xylene 0.15
    p-xylene 0.05
    chlorobenzene 0.03
    dimethyl carbonate 1.24
    n-octane 0.08
    formamide 109.31
    cyclopentanone 1.18
    2-pentanone 0.38
    anisole 0.12
    cyclopentyl methyl ether 0.89
    gamma-butyrolactone 1.64
    1-methoxy-2-propanol 10.02
    pyridine 0.57
    3-pentanone 0.42
    furfural 2.61
    n-dodecane 0.03
    diethylene glycol 13.65
    diisopropyl ether 0.09
    tert-amyl alcohol 0.46
    acetylacetone 0.88
    n-hexadecane 0.04
    acetophenone 0.27
    methyl propionate 0.66
    isopentyl acetate 0.07
    trichloroethylene 0.11
    n-nonanol 0.29
    cyclohexanol 1.31
    benzyl alcohol 0.37
    2-ethylhexanol 0.18
    isooctanol 0.23
    dipropyl ether 0.37
    1,2-dichlorobenzene 0.04
    ethyl lactate 0.81
    propylene carbonate 0.51
    n-methylformamide 12.5
    2-pentanol 0.4
    n-pentane 0.08
    1-propoxy-2-propanol 1.68
    1-methoxy-2-propyl acetate 0.64
    2-(2-methoxypropoxy) propanol 2.02
    mesitylene 0.13
    ε-caprolactone 0.93
    p-cymene 0.1
    epichlorohydrin 0.59
    1,1,1-trichloroethane 0.02
    2-aminoethanol 19.19
    morpholine-4-carbaldehyde 22.39
    sulfolane 16.29
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 0.46
    n-hexyl acetate 0.16
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.88
    sec-butyl acetate 0.05
    tert-butyl acetate 0.2
    decalin 0.04
    glycerin 102.78
    diglyme 4.74
    acrylic acid 3.48
    isopropyl myristate 0.08
    n-butyric acid 1.05
    acetyl acetate 0.23
    di(2-ethylhexyl) phthalate 0.15
    ethyl propionate 0.14
    nitromethane 6.57
    1,2-diethoxyethane 0.42
    benzonitrile 0.11
    trioctyl phosphate 0.15
    1-bromopropane 0.05
    gamma-valerolactone 4.83
    n-decanol 0.22
    triethyl phosphate 0.25
    4-methyl-2-pentanol 0.17
    propionitrile 0.16
    vinylene carbonate 0.56
    1,1,2-trichlorotrifluoroethane 6.78
    DMS 0.32
    cumene 0.05
    2-octanol 0.21
    2-hexanone 0.09
    octyl acetate 0.13
    limonene 0.2
    1,2-dimethoxyethane 1.83
    ethyl orthosilicate 0.23
    tributyl phosphate 0.12
    diacetone alcohol 1.63
    N,N-dimethylaniline 0.27
    acrylonitrile 0.39
    aniline 0.45
    1,3-propanediol 12.53
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.17
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.36
    diisobutyl methanol 0.16
    2-phenylethanol 0.31
    styrene 0.04
    dioctyl adipate 0.15
    dimethyl sulfate 5.84
    ethyl butyrate 0.17
    methyl lactate 5.85
    butyl lactate 0.5
    diethyl carbonate 0.11
    propanediol butyl ether 2.85
    triethyl orthoformate 0.28
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 0.76
    morpholine 2.85
    tert-butylamine 0.17
    n-dodecanol 0.17
    dimethoxymethane 5.3
    ethylene carbonate 0.38
    cyrene 4.75
    2-ethoxyethyl acetate 0.28
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.3
    dibutyl ether 0.15
    2,6-dimethyl-4-heptanol 0.16
    DEF 3.17
    dimethyl isosorbide 2.32
    tetrachloroethylene 0.2
    eugenol 0.9
    triacetin 0.51
    span 80 1.83
    1,4-butanediol 2.92
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.12
    methyl formate 4.03
    2-methyl-1-butanol 0.38
    n-decane 0.07
    butyronitrile 0.14
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.08
    1-chlorotetradecane 0.04
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.18
    cyclopentanol 1.13
    tetrahydropyran 0.53
    tert-amyl methyl ether 0.25
    2,5,8-trioxanonane 4.51
    1-hexene 0.04
    2-isopropoxyethanol 1.25
    2,2,2-trifluoroethanol 9.23
    methyl butyrate 0.18

    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