Delphinidin 3,5-diglucoside

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  • Identifiers

    CAS number
    17670-06-3

    Molecular formula
    C27H31O17+

    SMILES
    C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 81.34%
    Phenolic 24.4%
    Vanilla 23.48%
    Savory 20.02%
    Burnt 18.68%
    Milky 18.34%
    Smoky 18.05%
    Sweet 17.07%
    Bitter 15.87%
    Balsamic 15.38%

     

    Flavor
    Bitter 68.97%
    Odorless 41.68%
    Bland 35.05%
    Sweet-like 30.05%
    Very mild 21.93%
    Very slight 19.75%
    Cedarleaf 19.74%
    Eugenol 19.63%
    Parsley 19.1%
    Cauliflower 18.9%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    7.97 (neutral)

    Molecular weight
    627.5 g/mol

    Melting point expt.

    • 202 - 203 °C

    Flash point

    • 334.63 ˚C est.

  • Synonyms

    • Delphinidin 3,5-diglucoside
    • Delphinidin 3,5-O-diglucoside
    • Hyacin
    • Delphoside?
    • Aurobanin A
    • DELPHIN
    • C.I. Natural blue
    • 17670-06-3
    • delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside
    • CHEBI:55455
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol
    • 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside
    • 7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(7-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl)oxyoxane-3,4,5-triol
    • 7-hydroxy-3,5-bis((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy))-2-(3,4,5-trihydroxyphenyl)-1$l^(4)-chromen-1-ylium
    • RefChem:131634
    • Delphinidin 3-O-b-D-glucoside-5-O-b-D-glucoside
    • Delphinidin 3-O-I2-D-glucoside-5-O-I2-D-glucoside
    • Delphinidin-3,5-O-diglucoside
    • delphinidin-3,5-diglucoside
    • 47851-70-7
    • delphinidin-3,5-diglycoside
    • delphinidin 3,5-di-O-glucoside
    • DTXSID901341527
    • Q27124306
    • 17670-06-3

  • Applications

    Delphinidin 3,5-diglucoside (CAS 17670-06-3) is used as a natural pigment with several practical applications across industries: as a colorant for foods and beverages; as a pigment for cosmetics and personal care products; as a natural dye for inks and coatings; as a pH-responsive indicator in smart packaging or packaging inks; and as a dye of interest in dye-sensitized solar cells and related organic electronics applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.91
    methanol 3.24
    isopropanol 0.59
    water 0.18
    ethyl acetate 0.07
    n-propanol 1.37
    acetone 0.16
    n-butanol 0.53
    acetonitrile 0.05
    DMF 6.3
    toluene 0.01
    isobutanol 0.28
    1,4-dioxane 1.48
    methyl acetate 0.17
    THF 2.29
    2-butanone 0.31
    n-pentanol 0.19
    sec-butanol 0.56
    n-hexane 0.0
    ethylene glycol 6.72
    NMP 7.15
    cyclohexane 0.0
    DMSO 9.65
    n-butyl acetate 0.03
    n-octanol 0.17
    chloroform 0.01
    n-propyl acetate 0.04
    acetic acid 2.85
    dichloromethane 0.02
    cyclohexanone 0.27
    propylene glycol 8.11
    isopropyl acetate 0.03
    DMAc 6.44
    2-ethoxyethanol 4.69
    isopentanol 0.14
    n-heptane 0.01
    ethyl formate 0.18
    1,2-dichloroethane 0.03
    n-hexanol 0.09
    2-methoxyethanol 17.33
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.11
    transcutol 5.26
    n-heptanol 0.21
    ethylbenzene 0.01
    MIBK 0.03
    2-propoxyethanol 2.03
    tert-butanol 0.16
    MTBE 0.05
    2-butoxyethanol 1.94
    propionic acid 1.0
    o-xylene 0.01
    formic acid 11.35
    diethyl ether 0.12
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.27
    n-octane 0.0
    formamide 8.29
    cyclopentanone 0.76
    2-pentanone 0.13
    anisole 0.03
    cyclopentyl methyl ether 0.22
    gamma-butyrolactone 1.15
    1-methoxy-2-propanol 7.1
    pyridine 0.4
    3-pentanone 0.1
    furfural 1.07
    n-dodecane 0.0
    diethylene glycol 4.43
    diisopropyl ether 0.01
    tert-amyl alcohol 0.21
    acetylacetone 0.13
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.23
    isopentyl acetate 0.02
    trichloroethylene 0.03
    n-nonanol 0.17
    cyclohexanol 0.22
    benzyl alcohol 0.11
    2-ethylhexanol 0.03
    isooctanol 0.09
    dipropyl ether 0.09
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.25
    propylene carbonate 0.18
    n-methylformamide 3.92
    2-pentanol 0.17
    n-pentane 0.0
    1-propoxy-2-propanol 1.01
    1-methoxy-2-propyl acetate 0.19
    2-(2-methoxypropoxy) propanol 1.01
    mesitylene 0.0
    ε-caprolactone 0.46
    p-cymene 0.01
    epichlorohydrin 0.73
    1,1,1-trichloroethane 0.0
    2-aminoethanol 7.59
    morpholine-4-carbaldehyde 8.99
    sulfolane 3.15
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.44
    n-hexyl acetate 0.12
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.12
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 21.56
    diglyme 3.28
    acrylic acid 1.56
    isopropyl myristate 0.03
    n-butyric acid 0.47
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.04
    nitromethane 1.81
    1,2-diethoxyethane 0.27
    benzonitrile 0.02
    trioctyl phosphate 0.05
    1-bromopropane 0.01
    gamma-valerolactone 4.59
    n-decanol 0.1
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.04
    propionitrile 0.07
    vinylene carbonate 0.17
    1,1,2-trichlorotrifluoroethane 2.63
    DMS 0.09
    cumene 0.0
    2-octanol 0.1
    2-hexanone 0.05
    octyl acetate 0.07
    limonene 0.01
    1,2-dimethoxyethane 1.85
    ethyl orthosilicate 0.03
    tributyl phosphate 0.04
    diacetone alcohol 0.35
    N,N-dimethylaniline 0.03
    acrylonitrile 0.14
    aniline 0.09
    1,3-propanediol 6.64
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.04
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.1
    diisobutyl methanol 0.02
    2-phenylethanol 0.05
    styrene 0.0
    dioctyl adipate 0.07
    dimethyl sulfate 0.67
    ethyl butyrate 0.04
    methyl lactate 1.53
    butyl lactate 0.39
    diethyl carbonate 0.02
    propanediol butyl ether 2.78
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.18
    morpholine 4.44
    tert-butylamine 0.04
    n-dodecanol 0.05
    dimethoxymethane 2.36
    ethylene carbonate 0.13
    cyrene 1.2
    2-ethoxyethyl acetate 0.33
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.11
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.56
    dimethyl isosorbide 0.72
    tetrachloroethylene 0.04
    eugenol 0.3
    triacetin 0.24
    span 80 1.09
    1,4-butanediol 1.34
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.07
    methyl formate 1.59
    2-methyl-1-butanol 0.24
    n-decane 0.01
    butyronitrile 0.05
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.02
    1-chlorotetradecane 0.0
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.54
    tetrahydropyran 0.39
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 2.06
    1-hexene 0.01
    2-isopropoxyethanol 0.94
    2,2,2-trifluoroethanol 1.07
    methyl butyrate 0.07

    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