Malvidin Chloride

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  • Identifiers

    CAS number
    643-84-5

    Molecular formula
    C17H15ClO7

    SMILES
    COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 64.41%
    Odorless 43.42%
    Burnt 38.95%
    Smoky 38.56%
    Vanilla 35.27%
    Spicy 35.15%
    Balsamic 28.8%
    Medicinal 27.0%
    Woody 24.94%
    Powdery 21.4%

     

    Flavor
    Bitter 86.78%
    Bland 27.4%
    Odorless 25.13%
    Eugenol 22.69%
    Sweet-like 22.23%
    Parsley 21.58%
    Cedarleaf 20.65%
    Flat 20.49%
    Allspice 20.31%
    Ham 19.91%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    10.49 (weak base)

    Molecular weight
    366.7 g/mol

    Flash point

    • 237.95 ˚C est.

  • Synonyms

    • Malvidin chloride
    • 643-84-5
    • Syringidin
    • Primulidin
    • Enidin
    • 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium chloride
    • GL5KGZ4D8U
    • NSC-94526
    • RefChem:800844
    • 211-403-8
    • Malvinidol chloride
    • Syringidin chloride
    • Malvidol
    • Oenidin
    • Malvinidin
    • Malvidin (chloride)
    • 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;chloride
    • MALVIDINCHLORIDE
    • EINECS 211-403-8
    • UNII-GL5KGZ4D8U
    • NSC 94526
    • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
    • Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride
    • 3,4',5,7-Tetrahydroxy-2',5'-dimethoxy-2-phenylbenzopyrylium chloride
    • SCHEMBL308690
    • MALVIDIN CHLORIDE [MI]
    • CHEMBL592005
    • SCHEMBL29640416
    • SCHEMBL30683334
    • MSK40125
    • NSC94526
    • Malvidin chloride, analytical standard
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyryliumchloride
    • AKOS030573527
    • FM44901
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride (1:1)
    • Malvidin chloride, >=95.0% (HPLC)
    • AS-78650
    • DB-054647
    • HY-122496
    • CS-0085838
    • NS00079918
    • 3,5,7-Tetrahydroxy-3',5'-dimethoxyflavylium chloride
    • WLN: T66 BOJ CR DQ CO1 EO1& DQ GQ IQ &G
    • Flavylium,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride
    • 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium chloride
    • 1-Benzopyrylium,3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
    • 1-Benzopyrylium,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
    • 3,4',5,7-TETRAHYDROXY-3',5'-DIMETHOXY-2-PHENYLBENZOPYRYLIUM CHLORIDE
    • 643-84-5

  • Applications

    Malvidin chloride may be used as a natural pigment/colorant in cosmetics and personal care, imparting a red‑purple hue. In coatings and printing inks, it can function as a colorant to achieve desired finishes. It may serve as a colorant for polymers and plastics, helping to color molded parts and films. In research and development, anthocyanidin derivatives like malvidin chloride are explored as dyes for dye‑sensitized solar cells (DSSC) and related optoelectronic applications. It can also serve as a reference material or synthetic intermediate in analytical chemistry and anthocyanidin chemistry. Additionally, its pH‑sensitive color properties may allow use as an indicator pigment for packaging or sensor‑related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.04
    methanol 0.1
    isopropanol 0.04
    water 0.0
    ethyl acetate 0.03
    n-propanol 0.11
    acetone 0.0
    n-butanol 0.1
    acetonitrile 0.0
    DMF 1.01
    toluene 0.0
    isobutanol 0.06
    1,4-dioxane 0.07
    methyl acetate 0.04
    THF 0.5
    2-butanone 0.05
    n-pentanol 0.05
    sec-butanol 0.15
    n-hexane 0.0
    ethylene glycol 0.24
    NMP 3.76
    cyclohexane 0.0
    DMSO 5.23
    n-butyl acetate 0.13
    n-octanol 0.16
    chloroform 0.0
    n-propyl acetate 0.05
    acetic acid 0.17
    dichloromethane 0.0
    cyclohexanone 0.12
    propylene glycol 0.28
    isopropyl acetate 0.03
    DMAc 4.62
    2-ethoxyethanol 1.13
    isopentanol 0.11
    n-heptane 0.0
    ethyl formate 0.03
    1,2-dichloroethane 0.01
    n-hexanol 0.08
    2-methoxyethanol 2.99
    isobutyl acetate 0.03
    tetrachloromethane 0.0
    n-pentyl acetate 0.16
    transcutol 4.46
    n-heptanol 0.21
    ethylbenzene 0.0
    MIBK 0.04
    2-propoxyethanol 2.26
    tert-butanol 0.09
    MTBE 0.03
    2-butoxyethanol 1.67
    propionic acid 0.22
    o-xylene 0.01
    formic acid 0.52
    diethyl ether 0.01
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.16
    n-octane 0.0
    formamide 0.77
    cyclopentanone 0.27
    2-pentanone 0.02
    anisole 0.03
    cyclopentyl methyl ether 0.08
    gamma-butyrolactone 0.69
    1-methoxy-2-propanol 2.24
    pyridine 0.06
    3-pentanone 0.03
    furfural 0.78
    n-dodecane 0.0
    diethylene glycol 2.65
    diisopropyl ether 0.01
    tert-amyl alcohol 0.3
    acetylacetone 0.05
    n-hexadecane 0.0
    acetophenone 0.08
    methyl propionate 0.11
    isopentyl acetate 0.19
    trichloroethylene 0.01
    n-nonanol 0.22
    cyclohexanol 0.09
    benzyl alcohol 0.06
    2-ethylhexanol 0.12
    isooctanol 0.2
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.39
    propylene carbonate 0.21
    n-methylformamide 0.36
    2-pentanol 0.06
    n-pentane 0.0
    1-propoxy-2-propanol 1.67
    1-methoxy-2-propyl acetate 0.68
    2-(2-methoxypropoxy) propanol 2.06
    mesitylene 0.0
    ε-caprolactone 0.37
    p-cymene 0.02
    epichlorohydrin 0.37
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.45
    morpholine-4-carbaldehyde 2.97
    sulfolane 4.88
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.15
    n-hexyl acetate 0.26
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.29
    sec-butyl acetate 0.05
    tert-butyl acetate 0.11
    decalin 0.0
    glycerin 2.59
    diglyme 4.68
    acrylic acid 0.3
    isopropyl myristate 0.1
    n-butyric acid 0.19
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.23
    ethyl propionate 0.1
    nitromethane 0.25
    1,2-diethoxyethane 0.25
    benzonitrile 0.02
    trioctyl phosphate 0.21
    1-bromopropane 0.0
    gamma-valerolactone 1.34
    n-decanol 0.13
    triethyl phosphate 0.4
    4-methyl-2-pentanol 0.05
    propionitrile 0.02
    vinylene carbonate 0.14
    1,1,2-trichlorotrifluoroethane 2.23
    DMS 0.24
    cumene 0.01
    2-octanol 0.12
    2-hexanone 0.04
    octyl acetate 0.16
    limonene 0.03
    1,2-dimethoxyethane 1.21
    ethyl orthosilicate 0.34
    tributyl phosphate 0.22
    diacetone alcohol 0.79
    N,N-dimethylaniline 0.07
    acrylonitrile 0.05
    aniline 0.02
    1,3-propanediol 0.78
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.03
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.43
    diisobutyl methanol 0.08
    2-phenylethanol 0.14
    styrene 0.0
    dioctyl adipate 0.27
    dimethyl sulfate 1.03
    ethyl butyrate 0.19
    methyl lactate 0.91
    butyl lactate 0.59
    diethyl carbonate 0.19
    propanediol butyl ether 1.27
    triethyl orthoformate 0.41
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.81
    morpholine 0.35
    tert-butylamine 0.03
    n-dodecanol 0.08
    dimethoxymethane 0.44
    ethylene carbonate 0.09
    cyrene 1.88
    2-ethoxyethyl acetate 0.38
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.03
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.08
    DEF 0.33
    dimethyl isosorbide 3.21
    tetrachloroethylene 0.02
    eugenol 0.97
    triacetin 0.51
    span 80 1.12
    1,4-butanediol 0.14
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.1
    methyl formate 0.12
    2-methyl-1-butanol 0.17
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.14
    tetrahydropyran 0.03
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 3.19
    1-hexene 0.0
    2-isopropoxyethanol 0.52
    2,2,2-trifluoroethanol 0.18
    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