Cyanidin 3,5-diglucoside

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  • Identifiers

    CAS number
    2611-67-8

    Molecular formula
    C27H30O16

    SMILES
    C1=CC(=C(C=C1C2=C(C=C3C(=CC(=O)C=C3OC4C(C(C(C(O4)CO)O)O)O)O2)OC5C(C(C(C(O5)CO)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 79.48%
    Vanilla 28.59%
    Sweet 22.05%
    Savory 21.52%
    Phenolic 21.2%
    Milky 21.2%
    Burnt 19.14%
    Bitter 17.26%
    Smoky 17.02%
    Creamy 16.73%

     

    Flavor
    Bitter 74.17%
    Odorless 37.38%
    Bland 34.22%
    Sweet-like 29.07%
    Very mild 22.12%
    Cedarleaf 19.8%
    Eugenol 19.45%
    Very slight 19.4%
    Parsley 19.15%
    Cauliflower 18.87%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -3.0

    pKa est.
    6.8 (neutral)

    Molecular weight
    610.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5906°C

    Flash point

    • 314.12 ˚C est.

  • Synonyms

    • 2-(3,4-dihydroxyphenyl)-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromenylium-7-olate
    • 2-(3,4-dihydroxyphenyl)-3,5-bis((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy)chromenylium-7-olate
    • RefChem:129021
    • 2611-67-8
    • Cyanidin 3,5-diglucoside
    • RDFLLVCQYHQOBU-UHFFFAOYSA-N
    • 2611-67-8

  • Applications

    Cyanidin 3,5-diglucoside (CAS 2611-67-8) is used primarily as a natural colorant in foods and beverages, imparting red-to-purple hues that shift with pH; it is also employed as a natural colorant in cosmetics and personal care products. In addition, it is evaluated for use in nutraceuticals and dietary supplements as a colorant with potential antioxidant activity; it can be incorporated into coatings and inks as a natural colorant, and it is sometimes explored as a pH-responsive dye/indicator in laboratory and educational settings, subject to stability considerations. Application is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.65
    methanol 11.09
    isopropanol 3.38
    water 0.28
    ethyl acetate 0.48
    n-propanol 6.06
    acetone 1.61
    n-butanol 2.51
    acetonitrile 0.42
    DMF 23.84
    toluene 0.08
    isobutanol 1.27
    1,4-dioxane 8.85
    methyl acetate 1.18
    THF 17.09
    2-butanone 2.09
    n-pentanol 0.93
    sec-butanol 2.57
    n-hexane 0.01
    ethylene glycol 16.09
    NMP 20.1
    cyclohexane 0.02
    DMSO 50.17
    n-butyl acetate 0.14
    n-octanol 0.58
    chloroform 0.1
    n-propyl acetate 0.2
    acetic acid 14.25
    dichloromethane 0.16
    cyclohexanone 1.75
    propylene glycol 19.09
    isopropyl acetate 0.21
    DMAc 22.71
    2-ethoxyethanol 15.02
    isopentanol 0.65
    n-heptane 0.02
    ethyl formate 1.12
    1,2-dichloroethane 0.19
    n-hexanol 0.31
    2-methoxyethanol 47.56
    isobutyl acetate 0.06
    tetrachloromethane 0.02
    n-pentyl acetate 0.43
    transcutol 13.87
    n-heptanol 0.59
    ethylbenzene 0.02
    MIBK 0.18
    2-propoxyethanol 6.19
    tert-butanol 0.87
    MTBE 0.3
    2-butoxyethanol 4.35
    propionic acid 4.16
    o-xylene 0.04
    formic acid 27.13
    diethyl ether 0.77
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.02
    dimethyl carbonate 1.15
    n-octane 0.01
    formamide 23.73
    cyclopentanone 5.11
    2-pentanone 0.87
    anisole 0.15
    cyclopentyl methyl ether 1.06
    gamma-butyrolactone 6.63
    1-methoxy-2-propanol 20.64
    pyridine 2.23
    3-pentanone 0.57
    furfural 4.59
    n-dodecane 0.01
    diethylene glycol 10.76
    diisopropyl ether 0.04
    tert-amyl alcohol 0.91
    acetylacetone 1.06
    n-hexadecane 0.01
    acetophenone 0.2
    methyl propionate 1.24
    isopentyl acetate 0.09
    trichloroethylene 0.25
    n-nonanol 0.57
    cyclohexanol 1.0
    benzyl alcohol 0.54
    2-ethylhexanol 0.1
    isooctanol 0.28
    dipropyl ether 0.32
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.83
    propylene carbonate 0.91
    n-methylformamide 13.95
    2-pentanol 0.82
    n-pentane 0.02
    1-propoxy-2-propanol 2.83
    1-methoxy-2-propyl acetate 0.67
    2-(2-methoxypropoxy) propanol 2.56
    mesitylene 0.01
    ε-caprolactone 2.33
    p-cymene 0.02
    epichlorohydrin 4.71
    1,1,1-trichloroethane 0.03
    2-aminoethanol 18.47
    morpholine-4-carbaldehyde 26.27
    sulfolane 12.88
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.81
    n-hexyl acetate 0.47
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.26
    sec-butyl acetate 0.09
    tert-butyl acetate 0.17
    decalin 0.0
    glycerin 39.75
    diglyme 8.4
    acrylic acid 5.8
    isopropyl myristate 0.11
    n-butyric acid 2.26
    acetyl acetate 0.2
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.2
    nitromethane 11.1
    1,2-diethoxyethane 1.15
    benzonitrile 0.11
    trioctyl phosphate 0.18
    1-bromopropane 0.09
    gamma-valerolactone 20.16
    n-decanol 0.34
    triethyl phosphate 0.11
    4-methyl-2-pentanol 0.15
    propionitrile 0.39
    vinylene carbonate 0.84
    1,1,2-trichlorotrifluoroethane 9.24
    DMS 0.36
    cumene 0.01
    2-octanol 0.33
    2-hexanone 0.29
    octyl acetate 0.29
    limonene 0.03
    1,2-dimethoxyethane 7.77
    ethyl orthosilicate 0.11
    tributyl phosphate 0.14
    diacetone alcohol 1.53
    N,N-dimethylaniline 0.12
    acrylonitrile 0.75
    aniline 0.46
    1,3-propanediol 18.58
    bromobenzene 0.01
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.27
    2-methyl-cyclohexyl acetate 0.09
    tetrabutyl urea 0.35
    diisobutyl methanol 0.05
    2-phenylethanol 0.22
    styrene 0.02
    dioctyl adipate 0.3
    dimethyl sulfate 2.64
    ethyl butyrate 0.15
    methyl lactate 4.73
    butyl lactate 1.07
    diethyl carbonate 0.09
    propanediol butyl ether 6.19
    triethyl orthoformate 0.25
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.54
    morpholine 19.52
    tert-butylamine 0.19
    n-dodecanol 0.19
    dimethoxymethane 10.18
    ethylene carbonate 0.65
    cyrene 3.3
    2-ethoxyethyl acetate 1.23
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.65
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.56
    dimethyl isosorbide 1.96
    tetrachloroethylene 0.18
    eugenol 0.8
    triacetin 0.85
    span 80 2.7
    1,4-butanediol 4.36
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.3
    methyl formate 7.43
    2-methyl-1-butanol 0.91
    n-decane 0.02
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.71
    tetrahydropyran 2.64
    tert-amyl methyl ether 0.33
    2,5,8-trioxanonane 5.3
    1-hexene 0.03
    2-isopropoxyethanol 3.56
    2,2,2-trifluoroethanol 4.24
    methyl butyrate 0.35

    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