Keracyanin

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  • Identifiers

    CAS number
    18719-76-1

    Molecular formula
    C27H31ClO15

    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.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.98%
    Vanilla 29.39%
    Phenolic 27.88%
    Savory 21.76%
    Burnt 21.22%
    Smoky 20.94%
    Milky 20.18%
    Sweet 19.78%
    Creamy 16.98%
    Bitter 16.8%

     

    Flavor
    Bitter 69.88%
    Odorless 38.37%
    Bland 33.7%
    Sweet-like 29.11%
    Very mild 20.04%
    Cedarleaf 19.95%
    Eugenol 19.54%
    Very slight 19.53%
    Parsley 19.13%
    Patchouli 18.84%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.34 (weak base)

    Molecular weight
    631.0 g/mol

    Flash point

    • 299.58 ˚C est.

  • Synonyms

    • Keracyanin chloride
    • 18719-76-1
    • KERACYANIN
    • Antirrhinin
    • Sambucin
    • Prunicyanin
    • Keracyanine
    • Meralop
    • cyanidin 3-O-rutinoside chloride
    • Keracyaninum
    • Meralops
    • Cyanidin 3-rhamnoglucoside
    • Anthocyanin a2
    • keracianina
    • V0N2VMB4FV
    • CHEBI:16726
    • DTXSID00927864
    • cyanidin chloride 3-rhamnoglucoside
    • (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride
    • cyaninoside chloride
    • (2R,3R,4R,5R,6S)-2-(((2R,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-methyloxane-3,4,5-triol;chloride
    • RefChem:40223
    • DTXCID801356644
    • 242-528-6
    • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyran osyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium, chloride
    • Cyanidin 3-rutinoside
    • Cyaninoside
    • Keracyanin (chloride)
    • Cyanidin-3-rhamnoglucoside chloride
    • Cyanidin-3-O-rutinoside chloride
    • Cyanidin 3-rutinoside chloride
    • Cyanidin 3-O-Rutinoside (75%)
    • Keraciannai
    • 1-Benzopyrylium, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
    • Rutinosyl-3-cyanidine
    • Cyanidine 3-rutinoside
    • Keracyanin [INN:DCF]
    • Cyanidol 3-rhamnoglucoside
    • Keracyanine [INN-French]
    • Keracyaninum [INN-Latin]
    • Keraciannai [INN-Spanish]
    • Cyanidin 3-rhamnosylglucoside
    • CCRIS 1960
    • 3-O-Rutinosylcyanidin
    • EINECS 242-528-6
    • UNII-V0N2VMB4FV
    • cyanidin-3-O-rutinoside
    • 7,4'-Dihydroxyflavilium Chloride
    • Meralop (TN)
    • KERACYANIN [INN]
    • Keracyanin chloride (INN)
    • KERACYANIN [MART.]
    • KERACYANIN [WHO-DD]
    • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-3',4',5,7-tetrahydroxyflavylium chloride
    • SCHEMBL161440
    • CHEMBL592218
    • orb1297588
    • SCHEMBL29620254
    • SCHEMBL30533427
    • Keracyanine chloride, HPLC Grade
    • Cyanidin 3-rutinoside (chloride);Cyanidin 3-O-rutinoside (chloride);Sambucin (chloride)
    • Keracyanin (chloride) (Standard)
    • MSK40263
    • Cyanidin-3-O-rhamnoglucoside chloride
    • AKOS030573634
    • EBC-615838
    • HY-105935R
    • OC16172
    • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyran osyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1- benzopyrylium, chloride
    • AS-76553
    • HY-105935
    • CS-0026976
    • NS00100421
    • C04491
    • D08097
    • E80656
    • CYANIDIN CHLORIDE 3-RHAMNOGLUCOSIDE [MI]
    • Q3814728
    • 1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-,chloride(1:1)
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride
    • 2-(3,4-dihydroxyphenyl)-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}-1lambda4-chromen-1-ylium chloride
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride
    • 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3',4',5,7-TETRAHYDROXYFLAVYLIUM CHLORIDE
    • 18719-76-1

  • Applications

    Keracyanin (CAS 18719-76-1) is a natural pigment used primarily as a colorant across multiple industries. It is commonly employed as a dye/pigment in cosmetics and personal care products; as a colorant for inks, coatings and paints; as a pigment additive in plastics and other polymers; and it is occasionally evaluated as a natural colorant for foods and beverages and for textile dyeing, depending on regulatory status. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.51
    methanol 6.03
    isopropanol 0.57
    water 0.14
    ethyl acetate 0.05
    n-propanol 1.65
    acetone 0.24
    n-butanol 0.62
    acetonitrile 0.04
    DMF 7.12
    toluene 0.01
    isobutanol 0.3
    1,4-dioxane 1.97
    methyl acetate 0.14
    THF 3.31
    2-butanone 0.33
    n-pentanol 0.26
    sec-butanol 0.56
    n-hexane 0.0
    ethylene glycol 8.79
    NMP 6.71
    cyclohexane 0.0
    DMSO 14.99
    n-butyl acetate 0.03
    n-octanol 0.22
    chloroform 0.01
    n-propyl acetate 0.03
    acetic acid 3.53
    dichloromethane 0.02
    cyclohexanone 0.35
    propylene glycol 10.05
    isopropyl acetate 0.03
    DMAc 6.69
    2-ethoxyethanol 6.97
    isopentanol 0.17
    n-heptane 0.0
    ethyl formate 0.18
    1,2-dichloroethane 0.02
    n-hexanol 0.09
    2-methoxyethanol 26.69
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.12
    transcutol 7.79
    n-heptanol 0.25
    ethylbenzene 0.0
    MIBK 0.04
    2-propoxyethanol 2.51
    tert-butanol 0.16
    MTBE 0.05
    2-butoxyethanol 2.5
    propionic acid 0.89
    o-xylene 0.01
    formic acid 14.45
    diethyl ether 0.1
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.21
    n-octane 0.0
    formamide 9.99
    cyclopentanone 0.93
    2-pentanone 0.13
    anisole 0.03
    cyclopentyl methyl ether 0.19
    gamma-butyrolactone 1.17
    1-methoxy-2-propanol 8.64
    pyridine 0.4
    3-pentanone 0.09
    furfural 1.3
    n-dodecane 0.0
    diethylene glycol 5.64
    diisopropyl ether 0.01
    tert-amyl alcohol 0.21
    acetylacetone 0.16
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.17
    isopentyl acetate 0.02
    trichloroethylene 0.04
    n-nonanol 0.22
    cyclohexanol 0.23
    benzyl alcohol 0.14
    2-ethylhexanol 0.03
    isooctanol 0.11
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.24
    propylene carbonate 0.17
    n-methylformamide 4.32
    2-pentanol 0.15
    n-pentane 0.0
    1-propoxy-2-propanol 1.03
    1-methoxy-2-propyl acetate 0.16
    2-(2-methoxypropoxy) propanol 1.41
    mesitylene 0.0
    ε-caprolactone 0.5
    p-cymene 0.0
    epichlorohydrin 0.96
    1,1,1-trichloroethane 0.0
    2-aminoethanol 10.51
    morpholine-4-carbaldehyde 11.09
    sulfolane 3.69
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.48
    n-hexyl acetate 0.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.16
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 28.37
    diglyme 4.63
    acrylic acid 1.48
    isopropyl myristate 0.03
    n-butyric acid 0.48
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.07
    ethyl propionate 0.03
    nitromethane 2.13
    1,2-diethoxyethane 0.31
    benzonitrile 0.02
    trioctyl phosphate 0.07
    1-bromopropane 0.01
    gamma-valerolactone 6.52
    n-decanol 0.12
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.04
    propionitrile 0.05
    vinylene carbonate 0.16
    1,1,2-trichlorotrifluoroethane 3.15
    DMS 0.08
    cumene 0.0
    2-octanol 0.11
    2-hexanone 0.06
    octyl acetate 0.09
    limonene 0.01
    1,2-dimethoxyethane 2.72
    ethyl orthosilicate 0.03
    tributyl phosphate 0.04
    diacetone alcohol 0.42
    N,N-dimethylaniline 0.03
    acrylonitrile 0.11
    aniline 0.09
    1,3-propanediol 9.51
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.04
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.13
    diisobutyl methanol 0.02
    2-phenylethanol 0.06
    styrene 0.0
    dioctyl adipate 0.09
    dimethyl sulfate 0.58
    ethyl butyrate 0.03
    methyl lactate 1.43
    butyl lactate 0.42
    diethyl carbonate 0.02
    propanediol butyl ether 3.75
    triethyl orthoformate 0.06
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.22
    morpholine 5.65
    tert-butylamine 0.03
    n-dodecanol 0.06
    dimethoxymethane 2.73
    ethylene carbonate 0.11
    cyrene 1.72
    2-ethoxyethyl acetate 0.37
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.11
    dibutyl ether 0.07
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.48
    dimethyl isosorbide 0.95
    tetrachloroethylene 0.04
    eugenol 0.41
    triacetin 0.29
    span 80 1.49
    1,4-butanediol 1.87
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.09
    methyl formate 1.83
    2-methyl-1-butanol 0.26
    n-decane 0.01
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.57
    tetrahydropyran 0.42
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 3.08
    1-hexene 0.01
    2-isopropoxyethanol 1.25
    2,2,2-trifluoroethanol 1.03
    methyl butyrate 0.06

    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