Pelargonidin 3,5-diglucoside

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  • Identifiers

    CAS number
    17334-58-6

    Molecular formula
    C27H31ClO15

    SMILES
    C1=CC(=CC=C1C2=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)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.18%
    Sweet 32.45%
    Vanilla 32.41%
    Phenolic 26.18%
    Milky 20.86%
    Savory 20.83%
    Bitter 20.38%
    Smoky 19.01%
    Creamy 18.77%
    Balsamic 18.44%

     

    Flavor
    Bitter 72.29%
    Odorless 38.46%
    Bland 33.82%
    Sweet-like 29.72%
    Very mild 21.04%
    Cedarleaf 20.0%
    Very slight 19.77%
    Eugenol 19.34%
    Parsley 19.16%
    Cauliflower 19.09%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.67 (neutral)

    Molecular weight
    631.0 g/mol

    Flash point

    • 325.11 ˚C est.

  • Synonyms

    • Pelargonin chloride
    • 17334-58-6
    • Pelargonidin 3,5-diglucoside
    • Pelargonin (glycoside)
    • Pelargonidin-3,5-O-diglucoside chloride
    • Pelargonidin 3,5-diglucoside (chloride)
    • Pelargonin (VAN)
    • Pelargonidin-3,5-diglucoside
    • UNII-4OJV6238UJ
    • EINECS 241-360-0
    • NSC 87526
    • Pelargonidin, 3,5-di-beta-D-glucopyranoside
    • Glucopyranoside, pelargonidin-3,5 di-, beta-D-
    • SCHEMBL350109
    • orb1684336
    • DTXSID601341528
    • (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    • Pelargonidin-3,5-diglucoside chloride
    • AKOS040760619
    • Pelargonin chloride, >=90% (HPLC)
    • FP76214
    • FS-7561
    • 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
    • Pelargonin chloride, analytical standard
    • 1-Benzopyrylium, 3,5-bis(.beta.-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride
    • PELARGONIDIN 3,5-DIGLUCOSIDE [MI]
    • HY-123894
    • CS-0086770
    • NS00052402
    • G91507
    • PELARGONIDIN 3,5-DI-.BETA.-D-GLUCOSIDE
    • PELARGONIDIN 3-O-GLUCOSIDE-5-O-GLUCOSIDE
    • PELARGONIDIN 3,5-DI-.BETA.-D-GLUCOPYRANOSIDE
    • 3,4',5,7-TETRAHYDROXYFLAVYLIUM, CHLORIDE, 3,5-DIGLUCOSIDE
    • 3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-4',7-DIHYDROXYFLAVYLIUM CHLORIDE
    • 1-Benzopyrylium, 3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride
    • 1-Benzopyrylium, 3,5-bis(I(2)-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride
    • 17334-58-6

  • Applications

    Pelargonidin 3,5-diglucoside (CAS 17334-58-6) is a natural anthocyanin pigment primarily used as a natural colorant in foods and beverages, imparting red to pink hues that vary with pH; it is also employed as a colorant in cosmetics and personal care formulations. Additionally, this compound has been evaluated as a natural dye for inks and coatings. It is studied for potential antioxidant activity in nutraceutical formulations or colorant applications in dietary supplement products. Its pH sensitivity makes it suitable as a colorimetric indicator in analytical contexts or pH-responsive packaging. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.18
    methanol 6.29
    isopropanol 0.84
    water 0.18
    ethyl acetate 0.07
    n-propanol 1.98
    acetone 0.38
    n-butanol 0.78
    acetonitrile 0.08
    DMF 7.89
    toluene 0.02
    isobutanol 0.4
    1,4-dioxane 2.13
    methyl acetate 0.22
    THF 3.84
    2-butanone 0.51
    n-pentanol 0.33
    sec-butanol 0.72
    n-hexane 0.0
    ethylene glycol 7.21
    NMP 7.54
    cyclohexane 0.01
    DMSO 15.28
    n-butyl acetate 0.04
    n-octanol 0.22
    chloroform 0.02
    n-propyl acetate 0.05
    acetic acid 4.3
    dichloromethane 0.03
    cyclohexanone 0.52
    propylene glycol 8.28
    isopropyl acetate 0.04
    DMAc 7.33
    2-ethoxyethanol 5.63
    isopentanol 0.2
    n-heptane 0.01
    ethyl formate 0.25
    1,2-dichloroethane 0.04
    n-hexanol 0.12
    2-methoxyethanol 19.66
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.13
    transcutol 5.96
    n-heptanol 0.25
    ethylbenzene 0.01
    MIBK 0.05
    2-propoxyethanol 2.23
    tert-butanol 0.21
    MTBE 0.06
    2-butoxyethanol 2.11
    propionic acid 1.11
    o-xylene 0.01
    formic acid 13.37
    diethyl ether 0.15
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.25
    n-octane 0.01
    formamide 10.31
    cyclopentanone 1.32
    2-pentanone 0.19
    anisole 0.04
    cyclopentyl methyl ether 0.25
    gamma-butyrolactone 1.51
    1-methoxy-2-propanol 7.15
    pyridine 0.6
    3-pentanone 0.13
    furfural 1.46
    n-dodecane 0.0
    diethylene glycol 4.58
    diisopropyl ether 0.01
    tert-amyl alcohol 0.26
    acetylacetone 0.2
    n-hexadecane 0.0
    acetophenone 0.06
    methyl propionate 0.23
    isopentyl acetate 0.03
    trichloroethylene 0.06
    n-nonanol 0.22
    cyclohexanol 0.29
    benzyl alcohol 0.18
    2-ethylhexanol 0.04
    isooctanol 0.12
    dipropyl ether 0.09
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.26
    propylene carbonate 0.23
    n-methylformamide 4.7
    2-pentanol 0.2
    n-pentane 0.01
    1-propoxy-2-propanol 1.0
    1-methoxy-2-propyl acetate 0.18
    2-(2-methoxypropoxy) propanol 1.16
    mesitylene 0.01
    ε-caprolactone 0.62
    p-cymene 0.01
    epichlorohydrin 1.14
    1,1,1-trichloroethane 0.01
    2-aminoethanol 8.4
    morpholine-4-carbaldehyde 9.59
    sulfolane 4.07
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.62
    n-hexyl acetate 0.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.5
    sec-butyl acetate 0.02
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 19.2
    diglyme 3.71
    acrylic acid 1.77
    isopropyl myristate 0.03
    n-butyric acid 0.61
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.08
    ethyl propionate 0.05
    nitromethane 2.43
    1,2-diethoxyethane 0.32
    benzonitrile 0.03
    trioctyl phosphate 0.07
    1-bromopropane 0.02
    gamma-valerolactone 6.52
    n-decanol 0.13
    triethyl phosphate 0.04
    4-methyl-2-pentanol 0.05
    propionitrile 0.09
    vinylene carbonate 0.22
    1,1,2-trichlorotrifluoroethane 3.23
    DMS 0.09
    cumene 0.0
    2-octanol 0.12
    2-hexanone 0.08
    octyl acetate 0.09
    limonene 0.01
    1,2-dimethoxyethane 2.39
    ethyl orthosilicate 0.04
    tributyl phosphate 0.05
    diacetone alcohol 0.43
    N,N-dimethylaniline 0.04
    acrylonitrile 0.18
    aniline 0.13
    1,3-propanediol 7.89
    bromobenzene 0.0
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.07
    2-methyl-cyclohexyl acetate 0.03
    tetrabutyl urea 0.13
    diisobutyl methanol 0.02
    2-phenylethanol 0.08
    styrene 0.01
    dioctyl adipate 0.09
    dimethyl sulfate 0.65
    ethyl butyrate 0.04
    methyl lactate 1.46
    butyl lactate 0.41
    diethyl carbonate 0.02
    propanediol butyl ether 2.95
    triethyl orthoformate 0.08
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.23
    morpholine 5.89
    tert-butylamine 0.05
    n-dodecanol 0.07
    dimethoxymethane 2.72
    ethylene carbonate 0.16
    cyrene 1.56
    2-ethoxyethyl acetate 0.35
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.16
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.62
    dimethyl isosorbide 0.85
    tetrachloroethylene 0.06
    eugenol 0.38
    triacetin 0.28
    span 80 1.24
    1,4-butanediol 1.79
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.12
    methyl formate 2.1
    2-methyl-1-butanol 0.31
    n-decane 0.01
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.76
    tetrahydropyran 0.58
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 2.42
    1-hexene 0.01
    2-isopropoxyethanol 1.16
    2,2,2-trifluoroethanol 1.26
    methyl butyrate 0.09

    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