Delphinidin 3-galactoside

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  • Identifiers

    CAS number
    28500-00-7

    Molecular formula
    C21H21ClO12

    SMILES
    C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.67%
    Phenolic 35.47%
    Burnt 23.69%
    Smoky 21.16%
    Vanilla 20.4%
    Savory 20.11%
    Milky 16.48%
    Balsamic 15.63%
    Bitter 15.61%
    Spicy 14.24%

     

    Flavor
    Bitter 78.13%
    Odorless 39.77%
    Bland 34.07%
    Sweet-like 27.65%
    Mild 20.78%
    Very mild 20.2%
    Cedarleaf 20.11%
    Eugenol 20.03%
    Parsley 19.5%
    Very slight 19.26%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    9.09 (weak base)

    Molecular weight
    500.8 g/mol

    Flash point

    • 319.38 ˚C est.

  • Synonyms

    • Delphinidin 3-galactoside
    • 28500-00-7
    • Delphinidin galactoside
    • delphinidin-3-O-galactoside
    • UNII-5I4811UJHV
    • Delphinidin 3-monogalactoside
    • 5I4811UJHV
    • Delphinidin-3-beta-D-galactoside
    • DELPHINIDIN 3-O-.BETA.-D-GALACTOPYRANOSIDE
    • RefChem:131638
    • Delphinidin 3-O-beta-D-galactopyranoside
    • Empetrin
    • Delphinidin-3-O-galactoside chloride
    • DELPHINIDIN-3-GALACTOSIDE
    • Delphinidin 3-galactoside chloride
    • Delphinidin-3-O-galactoside (chloride)
    • (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    • 68852-84-6
    • Delphinidin 3-O-beta-D-galactoside chloride
    • Delphinidin 3-D-galactoside
    • EMPETRIN CHLORIDE
    • SCHEMBL31213251
    • HY-N6606
    • AKOS040763599
    • FS-7463
    • MD44896
    • DA-72649
    • Delphinidin3-O-beta-D-galactosidechloride
    • CS-0034341
    • E88981
    • Delphinidin-3-galactoside chloride , HPLC Grade
    • Q27262264
    • Delphinidin 3-O-beta-D-galactoside chloride, analytical standard
    • 1-BENZOPYRYLIUM, 3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)
    • 1-Benzopyrylium, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
    • 68852-84-6

  • Applications

    Delphinidin 3-galactoside (CAS 28500-00-7) is a blue-red to purple pigment anthocyanin derivative primarily used as a natural colorant in foods and beverages, providing color in products such as soft drinks, dairy, and confections. It is also applied as a colorant in cosmetics and personal care formulations to achieve a red-purple hue. Given its potential antioxidant activity, it is often evaluated as a functional or nutraceutical ingredient in food supplements and fortified foods, with attention to color stability in the product matrix. In coatings and inks, it may be considered as a natural dye for decorative coatings, packaging inks, or related applications, subject to regulatory and formulation compatibility. Additional research focus includes natural pigment applications and analytical uses, with practical deployment constrained by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.39
    methanol 0.76
    isopropanol 0.29
    water 0.1
    ethyl acetate 0.03
    n-propanol 0.74
    acetone 0.02
    n-butanol 0.23
    acetonitrile 0.02
    DMF 4.46
    toluene 0.0
    isobutanol 0.15
    1,4-dioxane 0.38
    methyl acetate 0.06
    THF 0.71
    2-butanone 0.11
    n-pentanol 0.09
    sec-butanol 0.4
    n-hexane 0.0
    ethylene glycol 7.6
    NMP 5.86
    cyclohexane 0.0
    DMSO 8.74
    n-butyl acetate 0.02
    n-octanol 0.12
    chloroform 0.0
    n-propyl acetate 0.02
    acetic acid 1.59
    dichloromethane 0.0
    cyclohexanone 0.1
    propylene glycol 10.15
    isopropyl acetate 0.02
    DMAc 6.84
    2-ethoxyethanol 5.58
    isopentanol 0.08
    n-heptane 0.01
    ethyl formate 0.05
    1,2-dichloroethane 0.0
    n-hexanol 0.06
    2-methoxyethanol 20.02
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.05
    transcutol 5.83
    n-heptanol 0.16
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 2.56
    tert-butanol 0.14
    MTBE 0.03
    2-butoxyethanol 2.09
    propionic acid 0.64
    o-xylene 0.01
    formic acid 9.67
    diethyl ether 0.04
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.14
    n-octane 0.0
    formamide 8.07
    cyclopentanone 0.29
    2-pentanone 0.04
    anisole 0.01
    cyclopentyl methyl ether 0.1
    gamma-butyrolactone 0.58
    1-methoxy-2-propanol 9.3
    pyridine 0.11
    3-pentanone 0.04
    furfural 0.55
    n-dodecane 0.0
    diethylene glycol 6.8
    diisopropyl ether 0.01
    tert-amyl alcohol 0.21
    acetylacetone 0.05
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.11
    isopentyl acetate 0.02
    trichloroethylene 0.0
    n-nonanol 0.13
    cyclohexanol 0.12
    benzyl alcohol 0.05
    2-ethylhexanol 0.03
    isooctanol 0.08
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.24
    propylene carbonate 0.07
    n-methylformamide 2.23
    2-pentanol 0.1
    n-pentane 0.0
    1-propoxy-2-propanol 1.32
    1-methoxy-2-propyl acetate 0.17
    2-(2-methoxypropoxy) propanol 1.46
    mesitylene 0.0
    ε-caprolactone 0.22
    p-cymene 0.0
    epichlorohydrin 0.18
    1,1,1-trichloroethane 0.0
    2-aminoethanol 11.09
    morpholine-4-carbaldehyde 7.27
    sulfolane 2.46
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.18
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.73
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 38.21
    diglyme 3.97
    acrylic acid 1.03
    isopropyl myristate 0.02
    n-butyric acid 0.24
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.02
    nitromethane 0.94
    1,2-diethoxyethane 0.18
    benzonitrile 0.01
    trioctyl phosphate 0.05
    1-bromopropane 0.0
    gamma-valerolactone 2.66
    n-decanol 0.08
    triethyl phosphate 0.04
    4-methyl-2-pentanol 0.03
    propionitrile 0.03
    vinylene carbonate 0.06
    1,1,2-trichlorotrifluoroethane 1.51
    DMS 0.06
    cumene 0.0
    2-octanol 0.08
    2-hexanone 0.02
    octyl acetate 0.05
    limonene 0.01
    1,2-dimethoxyethane 1.54
    ethyl orthosilicate 0.04
    tributyl phosphate 0.03
    diacetone alcohol 0.4
    N,N-dimethylaniline 0.02
    acrylonitrile 0.05
    aniline 0.04
    1,3-propanediol 6.26
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.11
    diisobutyl methanol 0.02
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.05
    dimethyl sulfate 0.44
    ethyl butyrate 0.03
    methyl lactate 1.6
    butyl lactate 0.31
    diethyl carbonate 0.02
    propanediol butyl ether 2.61
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.18
    morpholine 1.82
    tert-butylamine 0.03
    n-dodecanol 0.05
    dimethoxymethane 1.34
    ethylene carbonate 0.04
    cyrene 1.43
    2-ethoxyethyl acetate 0.15
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.03
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.29
    dimethyl isosorbide 1.01
    tetrachloroethylene 0.01
    eugenol 0.35
    triacetin 0.18
    span 80 1.21
    1,4-butanediol 1.11
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.04
    methyl formate 0.55
    2-methyl-1-butanol 0.15
    n-decane 0.0
    butyronitrile 0.01
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.33
    tetrahydropyran 0.11
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 2.77
    1-hexene 0.0
    2-isopropoxyethanol 1.01
    2,2,2-trifluoroethanol 0.64
    methyl butyrate 0.03

    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