(+)-Melezitose

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  • Identifiers

    CAS number
    597-12-6

    Molecular formula
    C18H32O16

    SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.64%
    Sweet 48.14%
    Alcoholic 23.47%
    Caramellic 18.5%
    Cooling 16.75%
    Clean 16.2%
    Savory 15.85%
    Milky 15.41%
    Woody 15.39%
    Bitter 15.3%

     

    Flavor
    Sweet 78.39%
    Odorless 56.23%
    Bitter 46.83%
    Sweet-like 33.2%
    Fatty 23.9%
    Cauliflower 22.22%
    Very slight 22.01%
    Soup 20.56%
    Alkaline 20.52%
    Very mild 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.8

    pKa est.
    3.4 (weak acid)

    Molecular weight
    504.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    4825°C

    Melting point expt.

    • 153 °C

    Flash point

    • 301.16 ˚C est.

  • Synonyms

    • Melezitose
    • 597-12-6
    • D-Melezitose
    • (+)-Melezitose
    • T4T25QN29L
    • CHEBI:6731
    • DTXSID20883458
    • NSC-2080
    • (2R,3R,4S,5S,6R)-2-{[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • alpha-D-Glucopyranoside, O-alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl
    • (2R,3R,4S,5S,6R)-2-(((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxolan-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • RefChem:156333
    • GlyTouCan:G80689JY
    • DTXCID401022988
    • (2R,3R,4S,5S,6R)-2-((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxolan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • G80689JY
    • O alpha-D-glucopyranosyl-(1,3)-O beta-D-fructofuranosyl-(2,1) alpha-D-glucopyranoside
    • 209-894-9
    • D-(+)-Melezitose
    • Melizitose
    • MFCD00006627
    • (+)-Melezitose;D-Melezitose
    • Melicitose
    • NSC 2080
    • alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl alpha-D-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • UNII-T4T25QN29L
    • .alpha.-D-Glucopyranoside, O-.alpha.-D-glucopyranosyl-(1->3)-.beta.-D-fructofuranosyl
    • EINECS 209-894-9
    • MELEZITOSE [MI]
    • AI3-19426
    • MELEZITOSE, (+)-
    • SCHEMBL131977
    • CHEMBL386007
    • MSK3231W
    • orb1707998
    • orb3025723
    • QWIZNVHXZXRPDR-WSCXOGSTSA-N
    • HY-N2340
    • s5142
    • AKOS015955765
    • CCG-269726
    • CS-6328
    • AS-56726
    • DA-65327
    • M0049
    • NS00014989
    • C08243
    • C75789
    • Q418842
    • 58079E13-F3CD-4185-B028-4BD36A97D4D3
    • .alpha.-D-Glucopyranoside, O-.alpha.-D-glucopyranosyl-(1-3)-.beta.-D-fructofuranosyl-
    • alpha-D-Glucopyranoside, O-alpha-D-glucopyranosyl-(1.fwdarw.3)-beta-D-fructofuranosyl
    • O-alpha-D-glucopyranosyl-(1,3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside
    • O-alpha-D-glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside
    • (2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-(((2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol)
    • O-.ALPHA.-D-GLUCOPYRANOSYL-(1->3)-.BETA.-D-FRUCTOFURANOSYL-.ALPHA.-D-GLUCOPYRANOSIDE
    • 597-12-6

  • Applications

    (+)-Melezitose, CAS 597-12-6, may be used in specialized food formulations as a sweetener and texture modifier, and as a carbon source for industrial fermentation; in cosmetics and personal care it can function as a humectant and stabilizer; in pharmaceutical formulations it may serve as an excipient and stabilizer for various recipes; additionally, it is used as a reference standard for oligosaccharide analysis in food and carbohydrate research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.43
    methanol 102.88
    isopropanol 8.71
    water 166.6
    ethyl acetate 5.21
    n-propanol 12.42
    acetone 13.43
    n-butanol 7.43
    acetonitrile 5.64
    DMF 227.78
    toluene 1.0
    isobutanol 3.88
    1,4-dioxane 19.63
    methyl acetate 5.68
    THF 24.55
    2-butanone 6.87
    n-pentanol 3.33
    sec-butanol 4.95
    n-hexane 0.13
    ethylene glycol 95.25
    NMP 193.29
    cyclohexane 0.59
    DMSO 504.95
    n-butyl acetate 1.94
    n-octanol 2.53
    chloroform 1.7
    n-propyl acetate 1.82
    acetic acid 115.96
    dichloromethane 2.74
    cyclohexanone 12.1
    propylene glycol 55.93
    isopropyl acetate 2.68
    DMAc 145.54
    2-ethoxyethanol 39.46
    isopentanol 2.78
    n-heptane 0.43
    ethyl formate 8.62
    1,2-dichloroethane 2.71
    n-hexanol 2.52
    2-methoxyethanol 123.51
    isobutyl acetate 0.71
    tetrachloromethane 0.59
    n-pentyl acetate 2.69
    transcutol 42.6
    n-heptanol 3.29
    ethylbenzene 0.35
    MIBK 2.06
    2-propoxyethanol 24.23
    tert-butanol 3.79
    MTBE 1.48
    2-butoxyethanol 18.13
    propionic acid 20.55
    o-xylene 0.95
    formic acid 416.03
    diethyl ether 3.27
    m-xylene 0.66
    p-xylene 0.37
    chlorobenzene 0.55
    dimethyl carbonate 17.17
    n-octane 0.26
    formamide 318.0
    cyclopentanone 21.79
    2-pentanone 5.77
    anisole 1.35
    cyclopentyl methyl ether 6.89
    gamma-butyrolactone 36.92
    1-methoxy-2-propanol 55.14
    pyridine 9.62
    3-pentanone 4.88
    furfural 35.07
    n-dodecane 0.15
    diethylene glycol 54.6
    diisopropyl ether 0.62
    tert-amyl alcohol 3.35
    acetylacetone 12.61
    n-hexadecane 0.16
    acetophenone 3.06
    methyl propionate 10.11
    isopentyl acetate 1.24
    trichloroethylene 3.87
    n-nonanol 2.42
    cyclohexanol 5.59
    benzyl alcohol 3.82
    2-ethylhexanol 1.12
    isooctanol 1.75
    dipropyl ether 2.39
    1,2-dichlorobenzene 0.56
    ethyl lactate 6.95
    propylene carbonate 11.44
    n-methylformamide 103.43
    2-pentanol 2.99
    n-pentane 0.29
    1-propoxy-2-propanol 12.04
    1-methoxy-2-propyl acetate 7.73
    2-(2-methoxypropoxy) propanol 11.43
    mesitylene 0.43
    ε-caprolactone 14.83
    p-cymene 0.51
    epichlorohydrin 16.65
    1,1,1-trichloroethane 0.68
    2-aminoethanol 74.05
    morpholine-4-carbaldehyde 140.8
    sulfolane 112.62
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 7.63
    n-hexyl acetate 2.68
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 18.66
    sec-butyl acetate 1.01
    tert-butyl acetate 2.22
    decalin 0.13
    glycerin 167.94
    diglyme 33.91
    acrylic acid 39.89
    isopropyl myristate 0.91
    n-butyric acid 14.98
    acetyl acetate 4.7
    di(2-ethylhexyl) phthalate 1.8
    ethyl propionate 2.23
    nitromethane 100.87
    1,2-diethoxyethane 5.37
    benzonitrile 1.8
    trioctyl phosphate 1.65
    1-bromopropane 0.96
    gamma-valerolactone 71.1
    n-decanol 1.7
    triethyl phosphate 2.08
    4-methyl-2-pentanol 1.13
    propionitrile 2.65
    vinylene carbonate 12.2
    1,1,2-trichlorotrifluoroethane 51.9
    DMS 4.4
    cumene 0.23
    2-octanol 1.63
    2-hexanone 1.78
    octyl acetate 1.82
    limonene 0.98
    1,2-dimethoxyethane 21.99
    ethyl orthosilicate 1.71
    tributyl phosphate 1.37
    diacetone alcohol 9.76
    N,N-dimethylaniline 1.69
    acrylonitrile 6.36
    aniline 3.9
    1,3-propanediol 55.7
    bromobenzene 0.34
    dibromomethane 1.36
    1,1,2,2-tetrachloroethane 3.62
    2-methyl-cyclohexyl acetate 1.55
    tetrabutyl urea 3.12
    diisobutyl methanol 0.71
    2-phenylethanol 2.86
    styrene 0.39
    dioctyl adipate 2.21
    dimethyl sulfate 47.97
    ethyl butyrate 2.01
    methyl lactate 33.97
    butyl lactate 5.76
    diethyl carbonate 1.54
    propanediol butyl ether 19.42
    triethyl orthoformate 2.47
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 5.77
    morpholine 35.28
    tert-butylamine 1.28
    n-dodecanol 1.19
    dimethoxymethane 50.9
    ethylene carbonate 9.22
    cyrene 24.76
    2-ethoxyethyl acetate 6.57
    2-ethylhexyl acetate 1.0
    1,2,4-trichlorobenzene 0.96
    4-methylpyridine 4.8
    dibutyl ether 1.26
    2,6-dimethyl-4-heptanol 0.71
    DEF 22.55
    dimethyl isosorbide 17.05
    tetrachloroethylene 3.32
    eugenol 6.76
    triacetin 7.04
    span 80 11.49
    1,4-butanediol 19.24
    1,1-dichloroethane 1.03
    2-methyl-1-pentanol 1.55
    methyl formate 60.54
    2-methyl-1-butanol 3.14
    n-decane 0.28
    butyronitrile 2.31
    3,7-dimethyl-1-octanol 1.13
    1-chlorooctane 0.64
    1-chlorotetradecane 0.27
    n-nonane 0.28
    undecane 0.19
    tert-butylcyclohexane 0.07
    cyclooctane 0.33
    cyclopentanol 9.3
    tetrahydropyran 6.86
    tert-amyl methyl ether 2.06
    2,5,8-trioxanonane 24.2
    1-hexene 0.32
    2-isopropoxyethanol 12.39
    2,2,2-trifluoroethanol 73.49
    methyl butyrate 3.1

    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