Isomaltoheptaose

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  • Identifiers

    CAS number
    6513-12-8

    Molecular formula
    C42H72O36

    SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.1%
    Sweet 40.31%
    Alcoholic 22.98%
    Savory 17.42%
    Cooling 17.1%
    Clean 15.47%
    Caramellic 15.27%
    Milky 15.02%
    Bitter 14.43%
    Woody 13.4%

     

    Flavor
    Sweet 62.51%
    Odorless 53.36%
    Bitter 47.0%
    Sweet-like 33.49%
    Fatty 24.51%
    Bland 23.8%
    Very slight 21.33%
    Cauliflower 21.33%
    Very mild 21.22%
    Alkaline 20.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -13.0

    pKa est.
    -2.36 (strong acid)

    Molecular weight
    1153.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3967°C

    Flash point

    • 203.88 ˚C est.

  • Synonyms

    • Isomaltoheptaose
    • 6513-12-8
    • DTXSID10215446
    • RefChem:149516
    • DTXCID10137937
    • (2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
    • D-Glucose, O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-
    • SCHEMBL29538806
    • alpha-D-Glucopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->4)]-[alpha-D-glucopyranosyl-(1->5)]-[alpha-D-glucopyranosyl-(1->6)]-[alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->2)]-D-glucose
    • 6513-12-8

  • Applications

    Isomaltoheptaose (CAS 6513-12-8) is an isomalto-oligosaccharide primarily used as a prebiotic dietary fiber in foods and beverages to support beneficial gut microflora. It is commonly evaluated as a low-calorie sweetener or sugar replacer in certain formulations due to its mild sweetness. It also serves as a bulking agent and texture modifier in confectionery, bakery products, and processed foods. In industrial manufacturing, it can function as a carbon source for fermentation or as a carbohydrate intermediate in enzymatic synthesis. In animal nutrition, it is used as a prebiotic feed additive to support gut health. In cosmetics/personal care, it may be used as a humectant or texture enhancer in formulations aimed at moisturization and microbiome-friendly products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.66
    methanol 6.26
    isopropanol 0.46
    water 2.15
    ethyl acetate 0.54
    n-propanol 0.81
    acetone 0.84
    n-butanol 0.57
    acetonitrile 0.42
    DMF 13.14
    toluene 0.23
    isobutanol 0.23
    1,4-dioxane 2.54
    methyl acetate 0.64
    THF 4.23
    2-butanone 0.78
    n-pentanol 0.28
    sec-butanol 0.36
    n-hexane 0.01
    ethylene glycol 3.96
    NMP 14.29
    cyclohexane 0.03
    DMSO 22.04
    n-butyl acetate 0.21
    n-octanol 0.32
    chloroform 0.29
    n-propyl acetate 0.21
    acetic acid 4.93
    dichloromethane 0.43
    cyclohexanone 1.18
    propylene glycol 2.85
    isopropyl acetate 0.27
    DMAc 10.88
    2-ethoxyethanol 3.39
    isopentanol 0.21
    n-heptane 0.04
    ethyl formate 0.79
    1,2-dichloroethane 0.28
    n-hexanol 0.18
    2-methoxyethanol 10.33
    isobutyl acetate 0.07
    tetrachloromethane 0.06
    n-pentyl acetate 0.42
    transcutol 5.51
    n-heptanol 0.35
    ethylbenzene 0.06
    MIBK 0.2
    2-propoxyethanol 2.22
    tert-butanol 0.17
    MTBE 0.14
    2-butoxyethanol 2.16
    propionic acid 1.3
    o-xylene 0.15
    formic acid 17.44
    diethyl ether 0.42
    m-xylene 0.13
    p-xylene 0.06
    chlorobenzene 0.1
    dimethyl carbonate 1.49
    n-octane 0.03
    formamide 16.4
    cyclopentanone 2.37
    2-pentanone 0.67
    anisole 0.2
    cyclopentyl methyl ether 1.04
    gamma-butyrolactone 3.59
    1-methoxy-2-propanol 4.74
    pyridine 1.54
    3-pentanone 0.55
    furfural 4.82
    n-dodecane 0.01
    diethylene glycol 4.01
    diisopropyl ether 0.06
    tert-amyl alcohol 0.2
    acetylacetone 1.02
    n-hexadecane 0.02
    acetophenone 0.36
    methyl propionate 1.09
    isopentyl acetate 0.11
    trichloroethylene 0.55
    n-nonanol 0.31
    cyclohexanol 0.42
    benzyl alcohol 0.42
    2-ethylhexanol 0.09
    isooctanol 0.17
    dipropyl ether 0.33
    1,2-dichlorobenzene 0.08
    ethyl lactate 0.63
    propylene carbonate 0.99
    n-methylformamide 6.8
    2-pentanol 0.25
    n-pentane 0.03
    1-propoxy-2-propanol 1.35
    1-methoxy-2-propyl acetate 0.8
    2-(2-methoxypropoxy) propanol 1.1
    mesitylene 0.06
    ε-caprolactone 1.53
    p-cymene 0.05
    epichlorohydrin 2.18
    1,1,1-trichloroethane 0.07
    2-aminoethanol 3.22
    morpholine-4-carbaldehyde 13.1
    sulfolane 8.74
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.98
    n-hexyl acetate 0.37
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.19
    sec-butyl acetate 0.11
    tert-butyl acetate 0.2
    decalin 0.01
    glycerin 9.29
    diglyme 4.52
    acrylic acid 2.62
    isopropyl myristate 0.09
    n-butyric acid 1.21
    acetyl acetate 0.39
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.27
    nitromethane 5.95
    1,2-diethoxyethane 0.76
    benzonitrile 0.21
    trioctyl phosphate 0.14
    1-bromopropane 0.12
    gamma-valerolactone 8.25
    n-decanol 0.18
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.07
    propionitrile 0.27
    vinylene carbonate 1.22
    1,1,2-trichlorotrifluoroethane 5.26
    DMS 0.46
    cumene 0.03
    2-octanol 0.2
    2-hexanone 0.22
    octyl acetate 0.2
    limonene 0.08
    1,2-dimethoxyethane 2.59
    ethyl orthosilicate 0.16
    tributyl phosphate 0.11
    diacetone alcohol 0.81
    N,N-dimethylaniline 0.21
    acrylonitrile 0.64
    aniline 0.52
    1,3-propanediol 3.39
    bromobenzene 0.07
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 0.43
    2-methyl-cyclohexyl acetate 0.12
    tetrabutyl urea 0.29
    diisobutyl methanol 0.05
    2-phenylethanol 0.25
    styrene 0.07
    dioctyl adipate 0.22
    dimethyl sulfate 3.89
    ethyl butyrate 0.25
    methyl lactate 2.98
    butyl lactate 0.73
    diethyl carbonate 0.15
    propanediol butyl ether 2.44
    triethyl orthoformate 0.31
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 0.67
    morpholine 4.06
    tert-butylamine 0.06
    n-dodecanol 0.11
    dimethoxymethane 5.26
    ethylene carbonate 0.8
    cyrene 2.21
    2-ethoxyethyl acetate 1.08
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.12
    4-methylpyridine 0.83
    dibutyl ether 0.21
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.07
    dimethyl isosorbide 1.82
    tetrachloroethylene 0.37
    eugenol 0.79
    triacetin 0.83
    span 80 1.18
    1,4-butanediol 1.08
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 0.12
    methyl formate 4.19
    2-methyl-1-butanol 0.25
    n-decane 0.03
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.1
    1-chlorooctane 0.08
    1-chlorotetradecane 0.02
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.67
    tetrahydropyran 0.85
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 2.79
    1-hexene 0.04
    2-isopropoxyethanol 1.03
    2,2,2-trifluoroethanol 3.29
    methyl butyrate 0.38

    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