cyanidin 3-O-sophoroside

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  • Identifiers

    CAS number
    38820-68-7

    Molecular formula
    C27H31O16+

    SMILES
    C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.21%
    Vanilla 27.51%
    Phenolic 26.05%
    Savory 21.04%
    Sweet 20.87%
    Milky 19.46%
    Burnt 19.02%
    Smoky 18.91%
    Bitter 17.33%
    Balsamic 16.35%

     

    Flavor
    Bitter 68.58%
    Odorless 41.64%
    Bland 34.03%
    Sweet-like 30.14%
    Very mild 21.59%
    Very slight 19.91%
    Cedarleaf 19.87%
    Eugenol 19.59%
    Cauliflower 19.14%
    Parsley 19.13%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.84 (neutral)

    Molecular weight
    611.5 g/mol

    Flash point

    • 307.61 ˚C est.

  • Synonyms

    • Cyanidin 3-O-sophoroside
    • (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-((2S,3R,4S,5S,6R)-2-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • RefChem:129035
    • 38820-68-7
    • Cyanidin-3-O-sophoroside
    • Cyanidin-3-O-sophoroside chloride
    • cyanidin-sophoroside
    • SCHEMBL30912659
    • CHEBI:80438
    • Cyanidin 3-O-sophoroside chloride
    • MC31214
    • 2-(3,4-Dihydroxyphenyl)-3-[(2-O-b-D-glucopyranosyl-a-D-glucopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium chloride
    • Q23048908
    • 38820-68-7

  • Applications

    cyanidin 3-O-sophoroside (CAS number: 38820-68-7) is a natural anthocyanin pigment with applications as a colorant across several industries. In food processing, it may be used as a natural colorant for beverages, confectionery, dairy, and bakery products, subject to regulatory limits. In cosmetics and personal care, it can function as a natural pigment for color cosmetics and related products. In coatings and inks, it may serve as a pigment additive to provide red-to-magenta hues. In polymers and plastics, it may be incorporated as a natural pigment for colored resins and films. Additionally, due to its antioxidant properties, it is often evaluated as an ingredient in nutraceuticals and functional foods, where formulation and stability considerations apply.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.67
    methanol 5.9
    isopropanol 1.05
    water 0.23
    ethyl acetate 0.14
    n-propanol 2.28
    acetone 0.51
    n-butanol 0.87
    acetonitrile 0.14
    DMF 12.12
    toluene 0.03
    isobutanol 0.43
    1,4-dioxane 3.25
    methyl acetate 0.37
    THF 5.46
    2-butanone 0.66
    n-pentanol 0.35
    sec-butanol 0.86
    n-hexane 0.0
    ethylene glycol 11.56
    NMP 12.7
    cyclohexane 0.01
    DMSO 25.24
    n-butyl acetate 0.06
    n-octanol 0.28
    chloroform 0.03
    n-propyl acetate 0.07
    acetic acid 6.97
    dichloromethane 0.04
    cyclohexanone 0.62
    propylene glycol 13.31
    isopropyl acetate 0.07
    DMAc 11.98
    2-ethoxyethanol 7.97
    isopentanol 0.24
    n-heptane 0.01
    ethyl formate 0.36
    1,2-dichloroethane 0.05
    n-hexanol 0.14
    2-methoxyethanol 27.52
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.21
    transcutol 8.8
    n-heptanol 0.33
    ethylbenzene 0.01
    MIBK 0.07
    2-propoxyethanol 3.39
    tert-butanol 0.27
    MTBE 0.09
    2-butoxyethanol 2.96
    propionic acid 1.68
    o-xylene 0.02
    formic acid 20.78
    diethyl ether 0.22
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.54
    n-octane 0.01
    formamide 15.12
    cyclopentanone 1.81
    2-pentanone 0.27
    anisole 0.06
    cyclopentyl methyl ether 0.41
    gamma-butyrolactone 2.53
    1-methoxy-2-propanol 11.58
    pyridine 0.87
    3-pentanone 0.2
    furfural 2.31
    n-dodecane 0.0
    diethylene glycol 7.27
    diisopropyl ether 0.02
    tert-amyl alcohol 0.31
    acetylacetone 0.37
    n-hexadecane 0.0
    acetophenone 0.09
    methyl propionate 0.44
    isopentyl acetate 0.04
    trichloroethylene 0.07
    n-nonanol 0.28
    cyclohexanol 0.36
    benzyl alcohol 0.23
    2-ethylhexanol 0.05
    isooctanol 0.16
    dipropyl ether 0.15
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.42
    propylene carbonate 0.36
    n-methylformamide 7.1
    2-pentanol 0.26
    n-pentane 0.01
    1-propoxy-2-propanol 1.62
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 1.66
    mesitylene 0.01
    ε-caprolactone 0.89
    p-cymene 0.01
    epichlorohydrin 1.62
    1,1,1-trichloroethane 0.01
    2-aminoethanol 11.93
    morpholine-4-carbaldehyde 16.3
    sulfolane 6.73
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.87
    n-hexyl acetate 0.22
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.44
    sec-butyl acetate 0.03
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 34.41
    diglyme 5.36
    acrylic acid 2.76
    isopropyl myristate 0.05
    n-butyric acid 0.82
    acetyl acetate 0.07
    di(2-ethylhexyl) phthalate 0.1
    ethyl propionate 0.08
    nitromethane 4.96
    1,2-diethoxyethane 0.5
    benzonitrile 0.05
    trioctyl phosphate 0.1
    1-bromopropane 0.02
    gamma-valerolactone 9.52
    n-decanol 0.16
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.06
    propionitrile 0.13
    vinylene carbonate 0.34
    1,1,2-trichlorotrifluoroethane 4.94
    DMS 0.18
    cumene 0.01
    2-octanol 0.16
    2-hexanone 0.11
    octyl acetate 0.14
    limonene 0.02
    1,2-dimethoxyethane 3.42
    ethyl orthosilicate 0.06
    tributyl phosphate 0.07
    diacetone alcohol 0.69
    N,N-dimethylaniline 0.06
    acrylonitrile 0.28
    aniline 0.19
    1,3-propanediol 10.6
    bromobenzene 0.0
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.09
    2-methyl-cyclohexyl acetate 0.04
    tetrabutyl urea 0.19
    diisobutyl methanol 0.03
    2-phenylethanol 0.11
    styrene 0.01
    dioctyl adipate 0.14
    dimethyl sulfate 1.35
    ethyl butyrate 0.07
    methyl lactate 2.58
    butyl lactate 0.6
    diethyl carbonate 0.04
    propanediol butyl ether 4.27
    triethyl orthoformate 0.12
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.33
    morpholine 8.23
    tert-butylamine 0.06
    n-dodecanol 0.09
    dimethoxymethane 4.55
    ethylene carbonate 0.24
    cyrene 2.25
    2-ethoxyethyl acetate 0.62
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.25
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.02
    dimethyl isosorbide 1.34
    tetrachloroethylene 0.07
    eugenol 0.53
    triacetin 0.47
    span 80 1.76
    1,4-butanediol 2.47
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.12
    methyl formate 3.37
    2-methyl-1-butanol 0.35
    n-decane 0.01
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.99
    tetrahydropyran 0.79
    tert-amyl methyl ether 0.12
    2,5,8-trioxanonane 3.56
    1-hexene 0.01
    2-isopropoxyethanol 1.79
    2,2,2-trifluoroethanol 2.15
    methyl butyrate 0.13

    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