Cyanidin 3-arabinoside

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  • Identifiers

    CAS number
    111613-04-8

    Molecular formula
    C20H19ClO10

    SMILES
    C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O.[Cl-]

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  • Odor profile

    Fragrance
    Odorless 72.4%
    Phenolic 44.28%
    Burnt 27.38%
    Vanilla 27.15%
    Smoky 25.08%
    Savory 20.84%
    Spicy 19.52%
    Balsamic 19.23%
    Milky 17.64%
    Medicinal 17.0%

     

    Flavor
    Bitter 84.51%
    Odorless 33.32%
    Bland 31.76%
    Sweet-like 26.14%
    Cedarleaf 20.0%
    Eugenol 19.71%
    Parsley 19.33%
    Lovage 18.93%
    Rotten 18.81%
    Nitrile 18.79%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    9.34 (weak base)

    Molecular weight
    454.8 g/mol

    Flash point

    • 299.3 ˚C est.

  • Synonyms

    • 111613-04-8
    • cyanidin-3-o-arabinoside
    • Cyanidin 3-arabinoside
    • Cyanidin 3-arabinoside chloride
    • Cyanidin arabinoside
    • Cyanidin 3-monoarabinoside
    • Cyanidin, 3-alpha-L-arabinoside
    • 7C8YZ321E8
    • Cyanidin 3-alpha-L-arabinopyranoside
    • Cyanidin 3-o-alpha-L-arabinopyranoside
    • UNII-7C8YZ321E8
    • 1-Benzopyrylium, 3-(alpha-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)
    • RefChem:34202
    • 27214-72-8
    • Cyanidin-3-O-arabinoside chloride
    • (2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
    • Cyanidin 3-O-arabinoside chloride
    • CYANIDIN 3-O-ALPHA-L-ARABINOSIDE CHLORIDE
    • orb1680149
    • SCHEMBL31376523
    • CHEBI:189019
    • GLXC-13688
    • AKOS040763595
    • FS-7465
    • DA-62562
    • DA-72453
    • CYANIDIN, 3-.ALPHA.-L-ARABINOSIDE
    • HY-129139
    • CS-0103762
    • CYANIDIN 3-.ALPHA.-L-ARABINOPYRANOSIDE
    • E89001
    • CYANIDIN 3-O-.ALPHA.-L-ARABINOPYRANOSIDE
    • Q27268061
    • Cyanidin 3-O-alpha-L-arabinoside chloride, analytical standard
    • 1-BENZOPYRYLIUM, 3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-, CHLORIDE (1:1)
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
    • 27214-72-8

  • Applications

    Cyanidin 3-arabinoside (CAS 111613-04-8) is a natural anthocyanin used primarily as a colorant for foods and beverages (including soft drinks, confectionery, and dairy products), in cosmetics and personal care as a natural pigment, and it is being explored as an antioxidant ingredient in dietary supplements. It is also considered as a natural dye for inks, coatings, and polymer systems, and may be used for textile dyeing in certain contexts. Owing to its pH sensitivity, it can function as a color indicator in analytical and research applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.03
    methanol 1.79
    isopropanol 0.73
    water 0.12
    ethyl acetate 0.05
    n-propanol 1.81
    acetone 0.04
    n-butanol 0.59
    acetonitrile 0.03
    DMF 7.57
    toluene 0.01
    isobutanol 0.38
    1,4-dioxane 0.58
    methyl acetate 0.11
    THF 1.54
    2-butanone 0.25
    n-pentanol 0.22
    sec-butanol 1.02
    n-hexane 0.0
    ethylene glycol 12.12
    NMP 7.11
    cyclohexane 0.0
    DMSO 15.82
    n-butyl acetate 0.04
    n-octanol 0.22
    chloroform 0.0
    n-propyl acetate 0.04
    acetic acid 3.32
    dichloromethane 0.0
    cyclohexanone 0.21
    propylene glycol 14.54
    isopropyl acetate 0.04
    DMAc 12.28
    2-ethoxyethanol 11.75
    isopentanol 0.23
    n-heptane 0.01
    ethyl formate 0.11
    1,2-dichloroethane 0.0
    n-hexanol 0.12
    2-methoxyethanol 41.73
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.09
    transcutol 10.82
    n-heptanol 0.31
    ethylbenzene 0.0
    MIBK 0.04
    2-propoxyethanol 4.67
    tert-butanol 0.38
    MTBE 0.07
    2-butoxyethanol 3.6
    propionic acid 1.24
    o-xylene 0.01
    formic acid 16.44
    diethyl ether 0.07
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.24
    n-octane 0.0
    formamide 16.8
    cyclopentanone 0.58
    2-pentanone 0.09
    anisole 0.03
    cyclopentyl methyl ether 0.18
    gamma-butyrolactone 1.09
    1-methoxy-2-propanol 19.38
    pyridine 0.19
    3-pentanone 0.08
    furfural 1.0
    n-dodecane 0.0
    diethylene glycol 11.54
    diisopropyl ether 0.01
    tert-amyl alcohol 0.54
    acetylacetone 0.13
    n-hexadecane 0.0
    acetophenone 0.05
    methyl propionate 0.22
    isopentyl acetate 0.04
    trichloroethylene 0.0
    n-nonanol 0.27
    cyclohexanol 0.26
    benzyl alcohol 0.12
    2-ethylhexanol 0.06
    isooctanol 0.17
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.42
    propylene carbonate 0.14
    n-methylformamide 4.36
    2-pentanol 0.26
    n-pentane 0.0
    1-propoxy-2-propanol 2.42
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 2.89
    mesitylene 0.0
    ε-caprolactone 0.43
    p-cymene 0.01
    epichlorohydrin 0.37
    1,1,1-trichloroethane 0.0
    2-aminoethanol 20.3
    morpholine-4-carbaldehyde 10.61
    sulfolane 3.74
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.35
    n-hexyl acetate 0.12
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.98
    sec-butyl acetate 0.02
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 46.79
    diglyme 6.78
    acrylic acid 1.75
    isopropyl myristate 0.05
    n-butyric acid 0.58
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.1
    ethyl propionate 0.05
    nitromethane 1.84
    1,2-diethoxyethane 0.35
    benzonitrile 0.01
    trioctyl phosphate 0.1
    1-bromopropane 0.0
    gamma-valerolactone 4.94
    n-decanol 0.18
    triethyl phosphate 0.07
    4-methyl-2-pentanol 0.08
    propionitrile 0.05
    vinylene carbonate 0.1
    1,1,2-trichlorotrifluoroethane 2.51
    DMS 0.1
    cumene 0.0
    2-octanol 0.15
    2-hexanone 0.05
    octyl acetate 0.1
    limonene 0.01
    1,2-dimethoxyethane 3.22
    ethyl orthosilicate 0.08
    tributyl phosphate 0.08
    diacetone alcohol 1.0
    N,N-dimethylaniline 0.04
    acrylonitrile 0.11
    aniline 0.07
    1,3-propanediol 13.76
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.24
    diisobutyl methanol 0.04
    2-phenylethanol 0.08
    styrene 0.0
    dioctyl adipate 0.12
    dimethyl sulfate 0.69
    ethyl butyrate 0.05
    methyl lactate 2.65
    butyl lactate 0.54
    diethyl carbonate 0.04
    propanediol butyl ether 4.0
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.41
    morpholine 3.15
    tert-butylamine 0.07
    n-dodecanol 0.1
    dimethoxymethane 2.6
    ethylene carbonate 0.07
    cyrene 2.36
    2-ethoxyethyl acetate 0.26
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.06
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.59
    dimethyl isosorbide 1.88
    tetrachloroethylene 0.01
    eugenol 0.7
    triacetin 0.34
    span 80 2.13
    1,4-butanediol 2.33
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.11
    methyl formate 1.03
    2-methyl-1-butanol 0.37
    n-decane 0.01
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.67
    tetrahydropyran 0.2
    tert-amyl methyl ether 0.12
    2,5,8-trioxanonane 4.84
    1-hexene 0.01
    2-isopropoxyethanol 2.16
    2,2,2-trifluoroethanol 1.11
    methyl butyrate 0.07

    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