Peonidin 3-Glucoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6906-39-4

    Molecular formula
    C22H23ClO11

    SMILES
    COC1=C(C=CC(=C1)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)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.59%
    Vanilla 41.81%
    Phenolic 37.8%
    Sweet 26.64%
    Smoky 25.27%
    Milky 23.96%
    Burnt 23.15%
    Creamy 22.9%
    Balsamic 22.59%
    Savory 22.43%

     

    Flavor
    Bitter 78.68%
    Odorless 35.64%
    Bland 35.63%
    Sweet-like 27.44%
    Eugenol 20.54%
    Cedarleaf 20.41%
    Parsley 20.27%
    Very mild 19.85%
    Lovage 19.37%
    Mild 19.35%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.83 (weak base)

    Molecular weight
    498.9 g/mol

    Flash point

    • 292.78 ˚C est.

  • Synonyms

    • peonidin 3-glucoside
    • Peonidin-3-O-glucoside
    • 3419IIT8I0
    • RefChem:860107
    • beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium-3-yl, chloride (1:1)
    • (2S,3R,4S,5S,6R)-2-(5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • 6906-39-4
    • PEONIDIN-3-GLUCOSIDE CHLORIDE
    • Glucopeonidin
    • Peonidin 3-O-glucoside chloride
    • Peonidin-3-O-glucoside chloride
    • Peonidin 3-O-glucoside
    • Peonidin 3-monoglucoside
    • Peonidin monoglucoside
    • Peonidin 3-O-glucoside (chloride)
    • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
    • 3-(Glucosyloxy)-4',5,7-trihydroxy-3'-methoxyflavylium chloride
    • UNII-3419IIT8I0
    • Peonidin 3-Glucoside Chloride
    • D-Peonidin-3-glucopyranoside
    • SCHEMBL31420442
    • DTXSID40219119
    • MSK40265
    • AKOS030573531
    • CS-W020867
    • HY-W040127
    • MP44894
    • Peonidin 3-O--glucopyranoside chloride
    • PEONIDIN CHLORIDE 3-MONOGLUCOSIDE
    • PEONIDIN-3-MONOGLUCOSIDE CHLORIDE
    • 1-Benzopyrylium, 3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1)
    • AS-83202
    • DA-76719
    • Peonidin 3-O-|A-glucopyranoside chloride
    • Paeonidin-3-glucoside chloride , HPLC Grade
    • G87060
    • Peonidin 3-O-glucoside chloride, >=95% (HPLC)
    • Peonidin 3-O-glucoside chloride, analytical standard
    • Q27256313
    • (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    • 1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-, CHLORIDE (1:1)
    • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-1-ium-3-yl beta-D-glucopyranoside chloride
    • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1??-chromen-1-ylium chloride
    • 6906-39-4

  • Applications

    Peonidin 3-Glucoside (CAS 6906-39-4) is a natural anthocyanin pigment used primarily as a colorant in foods and beverages, providing red–purple hues in fruit drinks, dairy products, confectionery, and bakery items. It is also employed as a cosmetic/personal care colorant to impart natural red tones in lip products and skincare formulations, under appropriate formulation controls. In coatings and inks, it can serve as a plant-derived pigment for decorative or packaging applications where natural colorants are preferred. The compound exhibits pH-sensitive color properties, enabling use as a colorimetric indicator in analytical or packaging contexts, and it is the subject of study for antioxidant activity, sometimes evaluated as a functional ingredient in nutraceutical formulations, subject to regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.58
    methanol 1.51
    isopropanol 0.35
    water 0.08
    ethyl acetate 0.04
    n-propanol 0.97
    acetone 0.1
    n-butanol 0.36
    acetonitrile 0.03
    DMF 6.43
    toluene 0.01
    isobutanol 0.24
    1,4-dioxane 0.61
    methyl acetate 0.1
    THF 1.23
    2-butanone 0.25
    n-pentanol 0.14
    sec-butanol 0.49
    n-hexane 0.0
    ethylene glycol 7.24
    NMP 7.52
    cyclohexane 0.0
    DMSO 17.26
    n-butyl acetate 0.03
    n-octanol 0.17
    chloroform 0.01
    n-propyl acetate 0.03
    acetic acid 2.8
    dichloromethane 0.01
    cyclohexanone 0.24
    propylene glycol 8.06
    isopropyl acetate 0.02
    DMAc 9.13
    2-ethoxyethanol 5.97
    isopentanol 0.14
    n-heptane 0.01
    ethyl formate 0.1
    1,2-dichloroethane 0.01
    n-hexanol 0.07
    2-methoxyethanol 21.61
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.08
    transcutol 6.7
    n-heptanol 0.21
    ethylbenzene 0.0
    MIBK 0.03
    2-propoxyethanol 2.41
    tert-butanol 0.17
    MTBE 0.04
    2-butoxyethanol 2.27
    propionic acid 0.89
    o-xylene 0.01
    formic acid 11.65
    diethyl ether 0.05
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.21
    n-octane 0.0
    formamide 10.67
    cyclopentanone 0.63
    2-pentanone 0.08
    anisole 0.02
    cyclopentyl methyl ether 0.13
    gamma-butyrolactone 0.98
    1-methoxy-2-propanol 8.49
    pyridine 0.18
    3-pentanone 0.07
    furfural 0.94
    n-dodecane 0.0
    diethylene glycol 6.16
    diisopropyl ether 0.01
    tert-amyl alcohol 0.25
    acetylacetone 0.11
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.15
    isopentyl acetate 0.03
    trichloroethylene 0.02
    n-nonanol 0.19
    cyclohexanol 0.17
    benzyl alcohol 0.09
    2-ethylhexanol 0.04
    isooctanol 0.12
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.3
    propylene carbonate 0.14
    n-methylformamide 3.29
    2-pentanol 0.13
    n-pentane 0.0
    1-propoxy-2-propanol 1.16
    1-methoxy-2-propyl acetate 0.2
    2-(2-methoxypropoxy) propanol 1.68
    mesitylene 0.0
    ε-caprolactone 0.36
    p-cymene 0.01
    epichlorohydrin 0.52
    1,1,1-trichloroethane 0.0
    2-aminoethanol 9.27
    morpholine-4-carbaldehyde 8.6
    sulfolane 4.16
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.27
    n-hexyl acetate 0.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.02
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 27.63
    diglyme 4.96
    acrylic acid 1.48
    isopropyl myristate 0.03
    n-butyric acid 0.4
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.09
    ethyl propionate 0.03
    nitromethane 1.97
    1,2-diethoxyethane 0.23
    benzonitrile 0.02
    trioctyl phosphate 0.08
    1-bromopropane 0.01
    gamma-valerolactone 4.27
    n-decanol 0.11
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.04
    propionitrile 0.05
    vinylene carbonate 0.12
    1,1,2-trichlorotrifluoroethane 3.05
    DMS 0.1
    cumene 0.0
    2-octanol 0.1
    2-hexanone 0.05
    octyl acetate 0.08
    limonene 0.01
    1,2-dimethoxyethane 2.1
    ethyl orthosilicate 0.06
    tributyl phosphate 0.06
    diacetone alcohol 0.48
    N,N-dimethylaniline 0.03
    acrylonitrile 0.11
    aniline 0.05
    1,3-propanediol 6.83
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.03
    2-methyl-cyclohexyl acetate 0.04
    tetrabutyl urea 0.16
    diisobutyl methanol 0.02
    2-phenylethanol 0.06
    styrene 0.0
    dioctyl adipate 0.1
    dimethyl sulfate 0.76
    ethyl butyrate 0.04
    methyl lactate 1.72
    butyl lactate 0.4
    diethyl carbonate 0.03
    propanediol butyl ether 2.64
    triethyl orthoformate 0.09
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.31
    morpholine 2.45
    tert-butylamine 0.03
    n-dodecanol 0.06
    dimethoxymethane 1.88
    ethylene carbonate 0.09
    cyrene 1.83
    2-ethoxyethyl acetate 0.24
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.05
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.4
    dimethyl isosorbide 1.33
    tetrachloroethylene 0.02
    eugenol 0.49
    triacetin 0.29
    span 80 1.36
    1,4-butanediol 1.38
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.08
    methyl formate 1.09
    2-methyl-1-butanol 0.23
    n-decane 0.01
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.44
    tetrahydropyran 0.17
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 3.37
    1-hexene 0.0
    2-isopropoxyethanol 1.16
    2,2,2-trifluoroethanol 1.07
    methyl butyrate 0.06

    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