2-O-(2,3-Dihydroxy-2-methylpropyl)-4-O-methylhexopyranosyl-(1->4)-(4-O-methylhexopyranosyl-(1->6))hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol

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  • Identifiers

    CAS number
    102511-23-9

    Molecular formula
    C31H56O22

    SMILES
    CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCC(C)(CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.61%
    Sweet 36.06%
    Alcoholic 26.95%
    Cooling 18.44%
    Milky 17.7%
    Savory 17.67%
    Caramellic 15.97%
    Buttery 14.92%
    Vanilla 14.02%
    Bitter 13.97%

     

    Flavor
    Sweet 66.14%
    Odorless 51.78%
    Bitter 44.62%
    Sweet-like 32.99%
    Fatty 29.92%
    Cauliflower 22.52%
    Very slight 22.25%
    Bland 20.94%
    Alkaline 20.86%
    Soup 20.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -8.1

    pKa est.
    3.09 (weak acid)

    Molecular weight
    780.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    5284°C

    Flash point

    • 222.24 ˚C est.

  • Synonyms

    • DTXSID70907658
    • 102511-23-9
    • 2-O-(2,3-Dihydroxy-2-methylpropyl)-4-O-methylhexopyranosyl-(1->4)-(4-O-methylhexopyranosyl-(1->6))hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol
    • 2-O-(2,3-Dihydroxy-2-methylpropyl)-4-O-methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol
    • RefChem:1063954
    • DTXCID501336748
    • 9049-76-7
    • 5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-5-[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
    • Hydroxypropyl starch ether
    • VYIPQJQYDCRXMM-UHFFFAOYSA-N
    • MFCD00081709
    • SY257550
    • Hydroxypropyl starch ether pound HPS pound(c)
    • 9049-76-7

  • Applications

    2-O-(2,3-Dihydroxy-2-methylpropyl)-4-O-methylhexopyranosyl-(1->4)-(4-O-methylhexopyranosyl-(1->6))hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol (CAS 102511-23-9) is typically used as an intermediate and building block in carbohydrate and glycoside chemistry; it may serve as a precursor in pharmaceutical and agrochemical synthesis; it is also a basis for developing oligosaccharide mimetics and can be used as a feedstock for carbohydrate-based polymers; additional research and material contexts include complex carbohydrate synthesis and material systems aimed at developing carbohydrate-derived polymeric materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.49
    methanol 20.16
    isopropanol 0.55
    water 2.6
    ethyl acetate 0.61
    n-propanol 1.5
    acetone 0.77
    n-butanol 0.94
    acetonitrile 0.36
    DMF 19.25
    toluene 0.2
    isobutanol 0.48
    1,4-dioxane 3.17
    methyl acetate 0.76
    THF 3.55
    2-butanone 0.93
    n-pentanol 0.47
    sec-butanol 0.55
    n-hexane 0.01
    ethylene glycol 8.34
    NMP 30.43
    cyclohexane 0.03
    DMSO 25.75
    n-butyl acetate 0.21
    n-octanol 0.4
    chloroform 0.54
    n-propyl acetate 0.24
    acetic acid 10.22
    dichloromethane 0.82
    cyclohexanone 1.91
    propylene glycol 6.15
    isopropyl acetate 0.28
    DMAc 16.77
    2-ethoxyethanol 5.98
    isopentanol 0.37
    n-heptane 0.03
    ethyl formate 1.17
    1,2-dichloroethane 0.51
    n-hexanol 0.3
    2-methoxyethanol 19.85
    isobutyl acetate 0.1
    tetrachloromethane 0.1
    n-pentyl acetate 0.51
    transcutol 8.43
    n-heptanol 0.51
    ethylbenzene 0.06
    MIBK 0.28
    2-propoxyethanol 3.79
    tert-butanol 0.22
    MTBE 0.15
    2-butoxyethanol 3.6
    propionic acid 2.55
    o-xylene 0.16
    formic acid 51.59
    diethyl ether 0.41
    m-xylene 0.12
    p-xylene 0.06
    chlorobenzene 0.13
    dimethyl carbonate 2.13
    n-octane 0.02
    formamide 29.42
    cyclopentanone 3.09
    2-pentanone 0.72
    anisole 0.27
    cyclopentyl methyl ether 1.09
    gamma-butyrolactone 5.19
    1-methoxy-2-propanol 7.4
    pyridine 1.75
    3-pentanone 0.65
    furfural 7.39
    n-dodecane 0.01
    diethylene glycol 7.88
    diisopropyl ether 0.05
    tert-amyl alcohol 0.33
    acetylacetone 1.22
    n-hexadecane 0.01
    acetophenone 0.52
    methyl propionate 1.49
    isopentyl acetate 0.16
    trichloroethylene 1.07
    n-nonanol 0.38
    cyclohexanol 0.65
    benzyl alcohol 0.72
    2-ethylhexanol 0.14
    isooctanol 0.27
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.14
    ethyl lactate 0.94
    propylene carbonate 1.63
    n-methylformamide 11.74
    2-pentanol 0.33
    n-pentane 0.02
    1-propoxy-2-propanol 1.75
    1-methoxy-2-propyl acetate 1.1
    2-(2-methoxypropoxy) propanol 2.0
    mesitylene 0.06
    ε-caprolactone 2.55
    p-cymene 0.07
    epichlorohydrin 3.65
    1,1,1-trichloroethane 0.1
    2-aminoethanol 7.88
    morpholine-4-carbaldehyde 23.83
    sulfolane 14.63
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.11
    n-hexyl acetate 0.51
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.42
    sec-butyl acetate 0.14
    tert-butyl acetate 0.26
    decalin 0.01
    glycerin 22.32
    diglyme 6.59
    acrylic acid 5.15
    isopropyl myristate 0.11
    n-butyric acid 2.09
    acetyl acetate 0.52
    di(2-ethylhexyl) phthalate 0.32
    ethyl propionate 0.32
    nitromethane 9.1
    1,2-diethoxyethane 0.83
    benzonitrile 0.29
    trioctyl phosphate 0.25
    1-bromopropane 0.16
    gamma-valerolactone 13.66
    n-decanol 0.22
    triethyl phosphate 0.27
    4-methyl-2-pentanol 0.12
    propionitrile 0.3
    vinylene carbonate 2.21
    1,1,2-trichlorotrifluoroethane 11.52
    DMS 0.66
    cumene 0.04
    2-octanol 0.24
    2-hexanone 0.27
    octyl acetate 0.27
    limonene 0.11
    1,2-dimethoxyethane 3.5
    ethyl orthosilicate 0.25
    tributyl phosphate 0.19
    diacetone alcohol 1.23
    N,N-dimethylaniline 0.3
    acrylonitrile 0.79
    aniline 0.6
    1,3-propanediol 6.66
    bromobenzene 0.09
    dibromomethane 0.33
    1,1,2,2-tetrachloroethane 0.85
    2-methyl-cyclohexyl acetate 0.22
    tetrabutyl urea 0.42
    diisobutyl methanol 0.07
    2-phenylethanol 0.45
    styrene 0.07
    dioctyl adipate 0.32
    dimethyl sulfate 5.98
    ethyl butyrate 0.27
    methyl lactate 5.11
    butyl lactate 1.15
    diethyl carbonate 0.16
    propanediol butyl ether 4.16
    triethyl orthoformate 0.35
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.17
    morpholine 5.12
    tert-butylamine 0.07
    n-dodecanol 0.13
    dimethoxymethane 7.49
    ethylene carbonate 1.36
    cyrene 5.51
    2-ethoxyethyl acetate 1.41
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 0.89
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.07
    DEF 3.02
    dimethyl isosorbide 3.17
    tetrachloroethylene 0.81
    eugenol 1.46
    triacetin 1.3
    span 80 2.26
    1,4-butanediol 2.16
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 0.25
    methyl formate 7.56
    2-methyl-1-butanol 0.5
    n-decane 0.03
    butyronitrile 0.25
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.97
    tetrahydropyran 0.95
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 4.27
    1-hexene 0.03
    2-isopropoxyethanol 1.72
    2,2,2-trifluoroethanol 5.95
    methyl butyrate 0.48

    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