Delphinidin 3-rutinoside

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  • Identifiers

    CAS number
    15674-58-5

    Molecular formula
    C27H31ClO16

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 80.96%
    Phenolic 27.03%
    Vanilla 23.62%
    Burnt 20.92%
    Savory 20.82%
    Smoky 19.91%
    Milky 18.35%
    Bitter 15.43%
    Sweet 14.99%
    Balsamic 14.7%

     

    Flavor
    Bitter 68.72%
    Odorless 39.41%
    Bland 34.25%
    Sweet-like 29.06%
    Very mild 20.2%
    Cedarleaf 19.92%
    Eugenol 19.6%
    Very slight 19.49%
    Parsley 19.14%
    Patchouli 18.84%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.46 (weak base)

    Molecular weight
    647.0 g/mol

    Flash point

    • 305.83 ˚C est.

  • Synonyms

    • 15674-58-5
    • delphinidin 3-rutinoside
    • Tulipanin
    • Delphinidin-3-rutinoside
    • 6I4SV29842
    • DTXSID80935523
    • 1-Benzopyrylium, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
    • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
    • 5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)methyl)oxan-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-1$l^(4)-chromen-1-ylium
    • RefChem:585674
    • DTXCID001364152
    • (2R,3R,4R,5R,6S)-2-(((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-methyloxane-3,4,5-triol
    • Delphinidin-3-O-rutinoside chloride
    • Delphinidin 3-rutinoside (chloride)
    • (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride
    • TULIPANIN CHLORIDE
    • orb1684657
    • 3-O-RUTINOSYLDELPHINIDIN
    • UNII-6I4SV29842
    • AKOS030573583
    • FS-7533
    • MD59487
    • HY-114367
    • CS-0084053
    • E80660
    • Q27264941
    • Tulipanin chloride; Delphinidin 3-O-rutinoside chloride
    • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
    • 3',4',5,5',7-Pentahydroxy-3-[(6-O-alpha-L-rhamnosyl-beta-D-glucosyl)oxy]flavylium chloride
    • 3-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride
    • 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride
    • Flavylium, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3',4',5,5',7-pentahydroxy-, chloride
    • 15674-58-5

  • Applications

    Delphinidin 3-rutinoside, CAS 15674-58-5, is a natural pigment and potential antioxidant used in several industrial formulations. In food and beverages it serves as a natural colorant for processed foods, desserts and drinks; in cosmetics and personal care it functions as a natural pigment and may contribute antioxidant properties in formulations; in coatings and inks it can act as a natural pigment for surface coatings and printed materials; in polymers and plastics it may be used as a colorant additive to impart purple hues; in plant-based extracts and nutraceutical formulations it is evaluated as a colorant and contributor to antioxidant content, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.14
    methanol 3.04
    isopropanol 0.27
    water 0.1
    ethyl acetate 0.03
    n-propanol 0.82
    acetone 0.09
    n-butanol 0.32
    acetonitrile 0.02
    DMF 4.43
    toluene 0.01
    isobutanol 0.16
    1,4-dioxane 0.98
    methyl acetate 0.08
    THF 1.46
    2-butanone 0.16
    n-pentanol 0.12
    sec-butanol 0.3
    n-hexane 0.0
    ethylene glycol 5.86
    NMP 4.78
    cyclohexane 0.0
    DMSO 7.57
    n-butyl acetate 0.02
    n-octanol 0.13
    chloroform 0.01
    n-propyl acetate 0.02
    acetic acid 1.8
    dichloromethane 0.01
    cyclohexanone 0.16
    propylene glycol 6.91
    isopropyl acetate 0.01
    DMAc 4.37
    2-ethoxyethanol 4.15
    isopentanol 0.09
    n-heptane 0.0
    ethyl formate 0.1
    1,2-dichloroethane 0.01
    n-hexanol 0.05
    2-methoxyethanol 17.11
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 5.19
    n-heptanol 0.16
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 1.67
    tert-butanol 0.08
    MTBE 0.03
    2-butoxyethanol 1.8
    propionic acid 0.54
    o-xylene 0.01
    formic acid 9.34
    diethyl ether 0.05
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.15
    n-octane 0.0
    formamide 6.12
    cyclopentanone 0.44
    2-pentanone 0.07
    anisole 0.02
    cyclopentyl methyl ether 0.11
    gamma-butyrolactone 0.63
    1-methoxy-2-propanol 5.63
    pyridine 0.21
    3-pentanone 0.05
    furfural 0.76
    n-dodecane 0.0
    diethylene glycol 3.97
    diisopropyl ether 0.0
    tert-amyl alcohol 0.12
    acetylacetone 0.08
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.11
    isopentyl acetate 0.01
    trichloroethylene 0.02
    n-nonanol 0.13
    cyclohexanol 0.12
    benzyl alcohol 0.08
    2-ethylhexanol 0.02
    isooctanol 0.07
    dipropyl ether 0.05
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.17
    propylene carbonate 0.1
    n-methylformamide 2.62
    2-pentanol 0.09
    n-pentane 0.0
    1-propoxy-2-propanol 0.74
    1-methoxy-2-propyl acetate 0.12
    2-(2-methoxypropoxy) propanol 0.98
    mesitylene 0.0
    ε-caprolactone 0.27
    p-cymene 0.0
    epichlorohydrin 0.47
    1,1,1-trichloroethane 0.0
    2-aminoethanol 6.77
    morpholine-4-carbaldehyde 7.66
    sulfolane 2.25
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.23
    n-hexyl acetate 0.08
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.16
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 22.42
    diglyme 3.26
    acrylic acid 0.93
    isopropyl myristate 0.02
    n-butyric acid 0.27
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.02
    nitromethane 1.14
    1,2-diethoxyethane 0.19
    benzonitrile 0.01
    trioctyl phosphate 0.04
    1-bromopropane 0.01
    gamma-valerolactone 3.61
    n-decanol 0.07
    triethyl phosphate 0.02
    4-methyl-2-pentanol 0.02
    propionitrile 0.03
    vinylene carbonate 0.09
    1,1,2-trichlorotrifluoroethane 2.06
    DMS 0.06
    cumene 0.0
    2-octanol 0.07
    2-hexanone 0.03
    octyl acetate 0.05
    limonene 0.01
    1,2-dimethoxyethane 1.59
    ethyl orthosilicate 0.02
    tributyl phosphate 0.03
    diacetone alcohol 0.25
    N,N-dimethylaniline 0.02
    acrylonitrile 0.07
    aniline 0.05
    1,3-propanediol 5.71
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.01
    tetrabutyl urea 0.08
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.05
    dimethyl sulfate 0.4
    ethyl butyrate 0.02
    methyl lactate 1.04
    butyl lactate 0.3
    diethyl carbonate 0.01
    propanediol butyl ether 2.7
    triethyl orthoformate 0.04
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.15
    morpholine 2.97
    tert-butylamine 0.02
    n-dodecanol 0.04
    dimethoxymethane 1.64
    ethylene carbonate 0.07
    cyrene 1.16
    2-ethoxyethyl acetate 0.23
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.06
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.3
    dimethyl isosorbide 0.67
    tetrachloroethylene 0.02
    eugenol 0.28
    triacetin 0.19
    span 80 1.06
    1,4-butanediol 1.06
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.05
    methyl formate 1.03
    2-methyl-1-butanol 0.15
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.29
    tetrahydropyran 0.2
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 2.12
    1-hexene 0.0
    2-isopropoxyethanol 0.74
    2,2,2-trifluoroethanol 0.61
    methyl butyrate 0.04

    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