Bifurcose

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  • Identifiers

    CAS number
    3568-31-8

    Molecular formula
    C24H42O21

    SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.74%
    Sweet 54.62%
    Alcoholic 23.89%
    Caramellic 17.65%
    Cooling 16.97%
    Clean 16.85%
    Savory 15.34%
    Woody 15.27%
    Milky 14.68%
    Bitter 14.64%

     

    Flavor
    Sweet 75.07%
    Odorless 55.69%
    Bitter 48.27%
    Sweet-like 33.81%
    Fatty 25.02%
    Cauliflower 21.86%
    Very slight 21.76%
    Bland 21.12%
    Very mild 20.66%
    Alkaline 20.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -7.4

    pKa est.
    2.54 (strong acid)

    Molecular weight
    666.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    4958°C

    Flash point

    • 334.66 ˚C est.

  • Synonyms

    • BIFURCOSE
    • 1,6-kestotetraose
    • D2GS15P7AZ
    • 3568-31-8
    • CHEBI:64835
    • DTXSID701318586
    • beta-D-fructofuranosyl-(2->1)-[beta-D-fructofuranosyl-(2->6)]-beta-D-fructofuranosyl alpha-D-glucopyranoside
    • alpha-D-Glucopyranoside, o-beta-D-fructofuranosyl-(2->1)-O-(beta-D-fructofuranosyl-(2->6))-beta-D-fructofuranosyl
    • beta-D-fructofuranosyl-(2->1)-(beta-D-fructofuranosyl-(2->6))-beta-D-fructofuranosyl alpha-D-glucopyranoside
    • RefChem:119780
    • GlyTouCan:G53784JZ
    • DTXCID201748392
    • G53784JZ
    • UNII-D2GS15P7AZ
    • SCHEMBL29381350
    • Q27133482
    • .ALPHA.-D-GLUCOPYRANOSIDE, O-.BETA.-D-FRUCTOFURANOSYL-(2->1)-O-(.BETA.-D-FRUCTOFURANOSYL-(2->6))-.BETA.-D-FRUCTOFURANOSYL
    • 3568-31-8

  • Applications

    Bifurcose (CAS 3568-31-8) is viewed as a versatile chemical with potential applications in both industrial and consumer settings, acting as an aromatic intermediate, a solvent, and a fragrance ingredient. It may be used in perfumery/fragrance and cosmetics/personal care as a scent component or fixative and could be evaluated for household products as a fragrance additive or processing aid. In industrial manufacturing, it can serve as a solvent or processing aid, and in coatings/inks as a solvent or formulation additive. In polymer/plastics and related sectors, it may function as a processing aid or stabilizer, subject to local regulations and formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.25
    methanol 70.03
    isopropanol 4.4
    water 10.92
    ethyl acetate 4.82
    n-propanol 7.59
    acetone 10.72
    n-butanol 4.33
    acetonitrile 3.71
    DMF 158.67
    toluene 0.56
    isobutanol 2.33
    1,4-dioxane 19.23
    methyl acetate 6.19
    THF 28.5
    2-butanone 6.59
    n-pentanol 1.97
    sec-butanol 3.08
    n-hexane 0.05
    ethylene glycol 37.39
    NMP 130.16
    cyclohexane 0.15
    DMSO 251.69
    n-butyl acetate 1.41
    n-octanol 1.72
    chloroform 2.13
    n-propyl acetate 1.47
    acetic acid 64.66
    dichloromethane 3.1
    cyclohexanone 9.47
    propylene glycol 26.41
    isopropyl acetate 2.14
    DMAc 109.47
    2-ethoxyethanol 27.12
    isopentanol 1.6
    n-heptane 0.13
    ethyl formate 7.99
    1,2-dichloroethane 2.25
    n-hexanol 1.25
    2-methoxyethanol 91.53
    isobutyl acetate 0.52
    tetrachloromethane 0.43
    n-pentyl acetate 2.54
    transcutol 32.05
    n-heptanol 1.89
    ethylbenzene 0.18
    MIBK 1.47
    2-propoxyethanol 16.21
    tert-butanol 1.89
    MTBE 1.25
    2-butoxyethanol 12.87
    propionic acid 12.74
    o-xylene 0.43
    formic acid 177.64
    diethyl ether 2.74
    m-xylene 0.3
    p-xylene 0.2
    chlorobenzene 0.44
    dimethyl carbonate 13.31
    n-octane 0.08
    formamide 156.16
    cyclopentanone 19.08
    2-pentanone 4.9
    anisole 1.13
    cyclopentyl methyl ether 5.22
    gamma-butyrolactone 32.14
    1-methoxy-2-propanol 37.85
    pyridine 8.61
    3-pentanone 3.71
    furfural 33.98
    n-dodecane 0.05
    diethylene glycol 29.83
    diisopropyl ether 0.34
    tert-amyl alcohol 2.0
    acetylacetone 9.79
    n-hexadecane 0.06
    acetophenone 2.12
    methyl propionate 8.57
    isopentyl acetate 0.89
    trichloroethylene 4.18
    n-nonanol 1.67
    cyclohexanol 2.72
    benzyl alcohol 2.49
    2-ethylhexanol 0.54
    isooctanol 0.99
    dipropyl ether 1.45
    1,2-dichlorobenzene 0.45
    ethyl lactate 4.27
    propylene carbonate 10.1
    n-methylformamide 72.05
    2-pentanol 1.63
    n-pentane 0.1
    1-propoxy-2-propanol 7.85
    1-methoxy-2-propyl acetate 6.03
    2-(2-methoxypropoxy) propanol 7.51
    mesitylene 0.17
    ε-caprolactone 12.26
    p-cymene 0.22
    epichlorohydrin 17.59
    1,1,1-trichloroethane 0.61
    2-aminoethanol 34.02
    morpholine-4-carbaldehyde 121.43
    sulfolane 79.91
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 6.76
    n-hexyl acetate 2.44
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 12.25
    sec-butyl acetate 0.78
    tert-butyl acetate 1.69
    decalin 0.04
    glycerin 83.17
    diglyme 26.96
    acrylic acid 24.67
    isopropyl myristate 0.65
    n-butyric acid 10.37
    acetyl acetate 3.84
    di(2-ethylhexyl) phthalate 1.21
    ethyl propionate 1.77
    nitromethane 83.4
    1,2-diethoxyethane 4.34
    benzonitrile 1.33
    trioctyl phosphate 1.03
    1-bromopropane 0.7
    gamma-valerolactone 71.14
    n-decanol 1.02
    triethyl phosphate 1.26
    4-methyl-2-pentanol 0.56
    propionitrile 1.88
    vinylene carbonate 11.39
    1,1,2-trichlorotrifluoroethane 45.71
    DMS 3.7
    cumene 0.11
    2-octanol 0.99
    2-hexanone 1.45
    octyl acetate 1.39
    limonene 0.41
    1,2-dimethoxyethane 19.99
    ethyl orthosilicate 1.04
    tributyl phosphate 0.9
    diacetone alcohol 6.37
    N,N-dimethylaniline 1.12
    acrylonitrile 4.94
    aniline 2.37
    1,3-propanediol 30.32
    bromobenzene 0.29
    dibromomethane 1.27
    1,1,2,2-tetrachloroethane 3.31
    2-methyl-cyclohexyl acetate 0.93
    tetrabutyl urea 2.08
    diisobutyl methanol 0.31
    2-phenylethanol 1.66
    styrene 0.22
    dioctyl adipate 1.57
    dimethyl sulfate 38.01
    ethyl butyrate 1.36
    methyl lactate 22.95
    butyl lactate 4.51
    diethyl carbonate 1.0
    propanediol butyl ether 12.84
    triethyl orthoformate 1.64
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 4.38
    morpholine 31.55
    tert-butylamine 0.54
    n-dodecanol 0.63
    dimethoxymethane 45.47
    ethylene carbonate 7.79
    cyrene 16.14
    2-ethoxyethyl acetate 6.82
    2-ethylhexyl acetate 0.7
    1,2,4-trichlorobenzene 0.79
    4-methylpyridine 4.3
    dibutyl ether 0.89
    2,6-dimethyl-4-heptanol 0.31
    DEF 15.85
    dimethyl isosorbide 11.42
    tetrachloroethylene 2.74
    eugenol 4.78
    triacetin 6.04
    span 80 7.58
    1,4-butanediol 9.43
    1,1-dichloroethane 0.94
    2-methyl-1-pentanol 0.9
    methyl formate 47.94
    2-methyl-1-butanol 2.01
    n-decane 0.12
    butyronitrile 1.58
    3,7-dimethyl-1-octanol 0.69
    1-chlorooctane 0.39
    1-chlorotetradecane 0.13
    n-nonane 0.11
    undecane 0.07
    tert-butylcyclohexane 0.02
    cyclooctane 0.08
    cyclopentanol 5.25
    tetrahydropyran 5.74
    tert-amyl methyl ether 1.54
    2,5,8-trioxanonane 16.53
    1-hexene 0.17
    2-isopropoxyethanol 7.73
    2,2,2-trifluoroethanol 37.76
    methyl butyrate 2.64

    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