alpha-Glucosylrutin

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  • Identifiers

    CAS number
    130603-71-3

    Molecular formula
    C33H40O21

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 81.86%
    Vanilla 24.32%
    Savory 21.22%
    Sweet 20.39%
    Phenolic 19.89%
    Milky 19.76%
    Burnt 18.43%
    Smoky 17.07%
    Bitter 16.17%
    Caramellic 15.23%

     

    Flavor
    Bitter 65.74%
    Odorless 39.89%
    Bland 32.85%
    Sweet-like 29.94%
    Very mild 21.39%
    Cedarleaf 19.87%
    Very slight 19.86%
    Eugenol 19.42%
    Cauliflower 19.27%
    Alkaline 19.06%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -2.9

    pKa est.
    6.74 (neutral)

    Molecular weight
    772.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6039°C

    Flash point

    • 293.22 ˚C est.

  • Synonyms

    • 4(G)-alpha-Glucopyranosyl-rutin
    • 130603-71-3
    • Glu-rutin
    • alpha-glucosylrutin
    • alphaG-rutin
    • alpha G-Rutin
    • DTXSID20156634
    • RefChem:96111
    • DTXCID1079125
    • 424-170-4
    • 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
    • a-Glucosylrutin
    • PFPQMWRASYNLMZ-LGIMBNBCSA-N
    • orb2665334
    • SCHEMBL1566365
    • SCHEMBL29366789
    • OG71735
    • HY-164159
    • EC 424-170-4
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside
    • 3-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
    • 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(alpha-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 3-(6-O-(6-Desoxy-alpha-L-mannopyranosyl-O-(alpha-D-glucopyranosyl)-(beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-(alpha-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
    • 130603-71-3

  • Applications

    Alpha-Glucosylrutin (CAS 130603-71-3) is a glycosylated flavonoid derivative that can serve as a water-soluble antioxidant and formulation stabilizer in cosmetics and personal care products; it is often evaluated as an intermediate for the synthesis of other flavonoid glycosides in pharmaceutical and nutraceutical applications; in food processing, it may be explored as a natural antioxidant additive; in industrial manufacturing, it can act as a building block for flavonoid glycoside derivatives; and in coatings, inks and polymer formulations it may function as a stabilizing additive or functional modifier. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.66
    methanol 12.07
    isopropanol 1.06
    water 0.14
    ethyl acetate 0.13
    n-propanol 2.36
    acetone 0.48
    n-butanol 0.94
    acetonitrile 0.13
    DMF 13.07
    toluene 0.04
    isobutanol 0.49
    1,4-dioxane 4.17
    methyl acetate 0.36
    THF 5.25
    2-butanone 0.66
    n-pentanol 0.43
    sec-butanol 0.8
    n-hexane 0.0
    ethylene glycol 11.25
    NMP 13.14
    cyclohexane 0.01
    DMSO 18.54
    n-butyl acetate 0.08
    n-octanol 0.33
    chloroform 0.06
    n-propyl acetate 0.09
    acetic acid 5.45
    dichloromethane 0.1
    cyclohexanone 0.79
    propylene glycol 11.85
    isopropyl acetate 0.06
    DMAc 10.38
    2-ethoxyethanol 6.87
    isopentanol 0.27
    n-heptane 0.01
    ethyl formate 0.43
    1,2-dichloroethane 0.1
    n-hexanol 0.19
    2-methoxyethanol 23.94
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.27
    transcutol 8.8
    n-heptanol 0.38
    ethylbenzene 0.01
    MIBK 0.08
    2-propoxyethanol 3.24
    tert-butanol 0.25
    MTBE 0.1
    2-butoxyethanol 3.04
    propionic acid 1.44
    o-xylene 0.03
    formic acid 18.35
    diethyl ether 0.25
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.02
    dimethyl carbonate 0.52
    n-octane 0.01
    formamide 12.63
    cyclopentanone 1.72
    2-pentanone 0.27
    anisole 0.08
    cyclopentyl methyl ether 0.43
    gamma-butyrolactone 2.24
    1-methoxy-2-propanol 8.88
    pyridine 1.01
    3-pentanone 0.2
    furfural 2.51
    n-dodecane 0.0
    diethylene glycol 6.68
    diisopropyl ether 0.02
    tert-amyl alcohol 0.3
    acetylacetone 0.33
    n-hexadecane 0.0
    acetophenone 0.12
    methyl propionate 0.41
    isopentyl acetate 0.05
    trichloroethylene 0.14
    n-nonanol 0.32
    cyclohexanol 0.39
    benzyl alcohol 0.3
    2-ethylhexanol 0.06
    isooctanol 0.17
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.41
    propylene carbonate 0.4
    n-methylformamide 6.88
    2-pentanol 0.25
    n-pentane 0.01
    1-propoxy-2-propanol 1.48
    1-methoxy-2-propyl acetate 0.36
    2-(2-methoxypropoxy) propanol 1.69
    mesitylene 0.01
    ε-caprolactone 0.99
    p-cymene 0.01
    epichlorohydrin 2.09
    1,1,1-trichloroethane 0.01
    2-aminoethanol 10.44
    morpholine-4-carbaldehyde 16.45
    sulfolane 6.16
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.92
    n-hexyl acetate 0.29
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.49
    sec-butyl acetate 0.04
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 28.37
    diglyme 5.24
    acrylic acid 2.43
    isopropyl myristate 0.06
    n-butyric acid 0.76
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.08
    nitromethane 3.69
    1,2-diethoxyethane 0.55
    benzonitrile 0.07
    trioctyl phosphate 0.12
    1-bromopropane 0.04
    gamma-valerolactone 9.62
    n-decanol 0.18
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.06
    propionitrile 0.14
    vinylene carbonate 0.42
    1,1,2-trichlorotrifluoroethane 5.44
    DMS 0.21
    cumene 0.01
    2-octanol 0.18
    2-hexanone 0.13
    octyl acetate 0.17
    limonene 0.02
    1,2-dimethoxyethane 3.31
    ethyl orthosilicate 0.05
    tributyl phosphate 0.08
    diacetone alcohol 0.63
    N,N-dimethylaniline 0.07
    acrylonitrile 0.29
    aniline 0.22
    1,3-propanediol 9.33
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.15
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.22
    diisobutyl methanol 0.03
    2-phenylethanol 0.15
    styrene 0.01
    dioctyl adipate 0.17
    dimethyl sulfate 1.17
    ethyl butyrate 0.07
    methyl lactate 2.32
    butyl lactate 0.72
    diethyl carbonate 0.04
    propanediol butyl ether 4.64
    triethyl orthoformate 0.12
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.38
    morpholine 8.23
    tert-butylamine 0.06
    n-dodecanol 0.1
    dimethoxymethane 4.67
    ethylene carbonate 0.28
    cyrene 2.53
    2-ethoxyethyl acetate 0.79
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.31
    dibutyl ether 0.12
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.02
    dimethyl isosorbide 1.4
    tetrachloroethylene 0.11
    eugenol 0.6
    triacetin 0.53
    span 80 2.07
    1,4-butanediol 2.44
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.16
    methyl formate 3.6
    2-methyl-1-butanol 0.39
    n-decane 0.01
    butyronitrile 0.11
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.94
    tetrahydropyran 0.86
    tert-amyl methyl ether 0.12
    2,5,8-trioxanonane 3.42
    1-hexene 0.01
    2-isopropoxyethanol 1.63
    2,2,2-trifluoroethanol 1.63
    methyl butyrate 0.14

    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