Cyanidin 3-sambubioside

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  • Identifiers

    CAS number
    33012-73-6

    Molecular formula
    C26H29ClO15

    SMILES
    C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.81%
    Phenolic 29.38%
    Vanilla 28.51%
    Savory 20.67%
    Sweet 20.64%
    Burnt 20.4%
    Smoky 20.32%
    Milky 19.12%
    Balsamic 17.44%
    Bitter 16.89%

     

    Flavor
    Bitter 71.56%
    Odorless 38.53%
    Bland 33.98%
    Sweet-like 29.2%
    Very mild 20.61%
    Cedarleaf 19.81%
    Very slight 19.45%
    Eugenol 19.39%
    Parsley 19.02%
    Alkaline 18.81%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.93 (neutral)

    Molecular weight
    616.9 g/mol

    Flash point

    • 299.75 ˚C est.

  • Synonyms

    • 33012-73-6
    • Cyanidin 3-sambubioside
    • cyanidin-3-O-sambubioside
    • cyanidin 3-O-(2-O-xylopyranosylglycopyranoside)
    • (2S,3R,4S,5R)-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]oxyoxane-3,4,5-triol;chloride
    • (2S,3R,4S,5R)-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)oxyoxane-3,4,5-triol;chloride
    • RefChem:34203
    • Cyanidin-3-O-sambubioside chloride
    • CYANIDIN-3-SAMBUBIOSIDE
    • Sambicyanin
    • cyanidin 3-sambubioside chloride
    • Cyanidin 3-sambubioside (chloride)
    • 4BIT5WSL15
    • Cyanidine 3-sambubioside
    • 3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium chloride
    • UNII-4BIT5WSL15
    • orb1684954
    • SCHEMBL30637470
    • DTXSID30954628
    • HY-N2533
    • AKOS030573597
    • MC31212
    • 3,5,7,3',4'-Pentahydroxyflavylium-3-O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranoside
    • CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE
    • DA-72451
    • MS-30754
    • CS-0022804
    • G16169
    • Q9333097
    • CYANIDIN 3-O-(2-O-.BETA.-XYLOPYRANOSYL)-.BETA.-GLUCOPYRANOSIDE
    • 1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE (1:1)
    • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, chloride
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside chloride
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-1-benzopyrylium Chloride
    • FLAVYLIUM, 4',5,5',7-TETRAHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE
    • 33012-73-6

  • Applications

    Cyanidin 3-sambubioside (CAS 33012-73-6) is an anthocyanin pigment used primarily as a natural colorant in food processing and beverages; it is also employed as a pigment in cosmetics and personal care products; it can function as a natural dye for coatings and printing inks; and it is commonly evaluated for colorant applications in packaging and printing contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.33
    methanol 5.9
    isopropanol 0.97
    water 0.24
    ethyl acetate 0.13
    n-propanol 2.36
    acetone 0.47
    n-butanol 0.88
    acetonitrile 0.12
    DMF 12.5
    toluene 0.03
    isobutanol 0.45
    1,4-dioxane 2.8
    methyl acetate 0.34
    THF 4.52
    2-butanone 0.64
    n-pentanol 0.33
    sec-butanol 0.9
    n-hexane 0.0
    ethylene glycol 12.97
    NMP 11.86
    cyclohexane 0.01
    DMSO 22.92
    n-butyl acetate 0.05
    n-octanol 0.28
    chloroform 0.02
    n-propyl acetate 0.06
    acetic acid 7.25
    dichloromethane 0.03
    cyclohexanone 0.56
    propylene glycol 16.05
    isopropyl acetate 0.06
    DMAc 12.41
    2-ethoxyethanol 9.22
    isopentanol 0.24
    n-heptane 0.01
    ethyl formate 0.33
    1,2-dichloroethane 0.04
    n-hexanol 0.13
    2-methoxyethanol 33.88
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.19
    transcutol 10.31
    n-heptanol 0.33
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 3.69
    tert-butanol 0.27
    MTBE 0.09
    2-butoxyethanol 3.24
    propionic acid 1.75
    o-xylene 0.02
    formic acid 23.74
    diethyl ether 0.19
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.52
    n-octane 0.01
    formamide 16.88
    cyclopentanone 1.68
    2-pentanone 0.25
    anisole 0.06
    cyclopentyl methyl ether 0.35
    gamma-butyrolactone 2.35
    1-methoxy-2-propanol 14.02
    pyridine 0.75
    3-pentanone 0.18
    furfural 2.15
    n-dodecane 0.0
    diethylene glycol 8.34
    diisopropyl ether 0.01
    tert-amyl alcohol 0.32
    acetylacetone 0.35
    n-hexadecane 0.0
    acetophenone 0.08
    methyl propionate 0.42
    isopentyl acetate 0.04
    trichloroethylene 0.06
    n-nonanol 0.29
    cyclohexanol 0.35
    benzyl alcohol 0.22
    2-ethylhexanol 0.05
    isooctanol 0.16
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.44
    propylene carbonate 0.32
    n-methylformamide 7.44
    2-pentanol 0.26
    n-pentane 0.01
    1-propoxy-2-propanol 1.71
    1-methoxy-2-propyl acetate 0.33
    2-(2-methoxypropoxy) propanol 1.94
    mesitylene 0.01
    ε-caprolactone 0.82
    p-cymene 0.01
    epichlorohydrin 1.43
    1,1,1-trichloroethane 0.01
    2-aminoethanol 14.52
    morpholine-4-carbaldehyde 16.95
    sulfolane 6.13
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.75
    n-hexyl acetate 0.2
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.02
    sec-butyl acetate 0.03
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 42.56
    diglyme 6.18
    acrylic acid 2.88
    isopropyl myristate 0.05
    n-butyric acid 0.85
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.1
    ethyl propionate 0.07
    nitromethane 5.1
    1,2-diethoxyethane 0.5
    benzonitrile 0.04
    trioctyl phosphate 0.1
    1-bromopropane 0.02
    gamma-valerolactone 9.73
    n-decanol 0.16
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.06
    propionitrile 0.11
    vinylene carbonate 0.3
    1,1,2-trichlorotrifluoroethane 4.92
    DMS 0.16
    cumene 0.0
    2-octanol 0.15
    2-hexanone 0.09
    octyl acetate 0.13
    limonene 0.02
    1,2-dimethoxyethane 3.59
    ethyl orthosilicate 0.05
    tributyl phosphate 0.06
    diacetone alcohol 0.74
    N,N-dimethylaniline 0.05
    acrylonitrile 0.27
    aniline 0.17
    1,3-propanediol 12.68
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.07
    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 1.29
    ethyl butyrate 0.06
    methyl lactate 2.95
    butyl lactate 0.61
    diethyl carbonate 0.04
    propanediol butyl ether 4.88
    triethyl orthoformate 0.12
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.34
    morpholine 7.92
    tert-butylamine 0.05
    n-dodecanol 0.09
    dimethoxymethane 4.75
    ethylene carbonate 0.21
    cyrene 2.48
    2-ethoxyethyl acetate 0.56
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.21
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.0
    dimethyl isosorbide 1.42
    tetrachloroethylene 0.06
    eugenol 0.58
    triacetin 0.49
    span 80 1.99
    1,4-butanediol 2.69
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.12
    methyl formate 3.3
    2-methyl-1-butanol 0.36
    n-decane 0.01
    butyronitrile 0.08
    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 0.92
    tetrahydropyran 0.68
    tert-amyl methyl ether 0.12
    2,5,8-trioxanonane 4.08
    1-hexene 0.01
    2-isopropoxyethanol 1.97
    2,2,2-trifluoroethanol 2.14
    methyl butyrate 0.12

    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