Malvidin 3-galactoside

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  • Identifiers

    CAS number
    30113-37-2

    Molecular formula
    C23H25ClO12

    SMILES
    COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.13%
    Vanilla 41.07%
    Phenolic 35.86%
    Smoky 25.38%
    Sweet 25.3%
    Milky 24.34%
    Balsamic 23.08%
    Burnt 22.59%
    Creamy 22.07%
    Savory 21.1%

     

    Flavor
    Bitter 76.04%
    Bland 37.38%
    Odorless 34.98%
    Sweet-like 27.14%
    Eugenol 21.1%
    Parsley 20.78%
    Cedarleaf 20.56%
    Very mild 19.68%
    Lovage 19.4%
    Mild 19.08%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.82 (weak base)

    Molecular weight
    528.9 g/mol

    Flash point

    • 291.07 ˚C est.

  • Synonyms

    • 30113-37-2
    • Malvidin 3-galactoside
    • MB4022065G
    • NSC-270760
    • RefChem:155504
    • 250-055-1
    • Malvidin-3-galactoside chloride
    • Malvidin-3-O-galactoside chloride
    • 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
    • Malvidin-3-O-galactoside
    • Malvidin-3-galactoside (chloride)
    • Arthanitin
    • (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    • UNII-MB4022065G
    • EINECS 250-055-1
    • NSC 270760
    • MALVIDIN GALACTOSIDE
    • 3-(Galactosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride
    • SCHEMBL723403
    • orb1684429
    • Malvidin 3-Galactoside Chloride
    • DTXSID90952524
    • CHEBI:180741
    • HY-N6623
    • AKOS027383182
    • FS-7469
    • MM65371
    • CS-0034411
    • NS00127324
    • G91295
    • MALVIDIN 3-O-.BETA.-D-GALACTOPYRANOSIDE
    • A820203
    • Q137253
    • Malvidin-3-galactoside chloride, analytical standard
    • 1-BENZOPYRYLIUM, 3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, CHLORIDE (1:1)
    • 2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol chloride
    • 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-1-ium-3-yl beta-D-galactopyranoside chloride
    • 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl beta-D-galactopyranoside chloride
    • 30113-37-2

  • Applications

    Malvidin 3-galactoside (CAS 30113-37-2) is a natural anthocyanin found in red grapes and other pigment-rich sources, commonly used as a natural colorant in foods and beverages in the industry. It is also used in cosmetics and personal care as a colorant. Due to its antioxidant properties, it may be used as an antioxidant ingredient in nutraceutical formulations. Its pH-sensitive color properties have led to research as a pH indicator dye for sensors and smart packaging. Additionally, it has been explored as a natural pigment for coatings or inks in relevant applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 0.72
    isopropanol 0.16
    water 0.05
    ethyl acetate 0.03
    n-propanol 0.46
    acetone 0.05
    n-butanol 0.21
    acetonitrile 0.02
    DMF 3.47
    toluene 0.0
    isobutanol 0.13
    1,4-dioxane 0.41
    methyl acetate 0.09
    THF 0.68
    2-butanone 0.15
    n-pentanol 0.1
    sec-butanol 0.26
    n-hexane 0.0
    ethylene glycol 2.94
    NMP 5.96
    cyclohexane 0.0
    DMSO 7.84
    n-butyl acetate 0.02
    n-octanol 0.1
    chloroform 0.01
    n-propyl acetate 0.02
    acetic acid 1.52
    dichloromethane 0.01
    cyclohexanone 0.18
    propylene glycol 3.41
    isopropyl acetate 0.02
    DMAc 5.67
    2-ethoxyethanol 2.56
    isopentanol 0.08
    n-heptane 0.0
    ethyl formate 0.08
    1,2-dichloroethane 0.01
    n-hexanol 0.05
    2-methoxyethanol 8.35
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.06
    transcutol 3.54
    n-heptanol 0.14
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 1.38
    tert-butanol 0.09
    MTBE 0.03
    2-butoxyethanol 1.39
    propionic acid 0.58
    o-xylene 0.01
    formic acid 5.77
    diethyl ether 0.03
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.15
    n-octane 0.0
    formamide 4.84
    cyclopentanone 0.39
    2-pentanone 0.05
    anisole 0.02
    cyclopentyl methyl ether 0.09
    gamma-butyrolactone 0.69
    1-methoxy-2-propanol 3.56
    pyridine 0.15
    3-pentanone 0.06
    furfural 0.71
    n-dodecane 0.0
    diethylene glycol 3.15
    diisopropyl ether 0.0
    tert-amyl alcohol 0.14
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.11
    isopentyl acetate 0.02
    trichloroethylene 0.02
    n-nonanol 0.12
    cyclohexanol 0.11
    benzyl alcohol 0.07
    2-ethylhexanol 0.03
    isooctanol 0.07
    dipropyl ether 0.05
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.21
    propylene carbonate 0.11
    n-methylformamide 1.77
    2-pentanol 0.07
    n-pentane 0.0
    1-propoxy-2-propanol 0.68
    1-methoxy-2-propyl acetate 0.13
    2-(2-methoxypropoxy) propanol 0.98
    mesitylene 0.0
    ε-caprolactone 0.29
    p-cymene 0.0
    epichlorohydrin 0.4
    1,1,1-trichloroethane 0.0
    2-aminoethanol 3.37
    morpholine-4-carbaldehyde 5.39
    sulfolane 3.01
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.17
    n-hexyl acetate 0.08
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.68
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 12.99
    diglyme 2.86
    acrylic acid 1.03
    isopropyl myristate 0.02
    n-butyric acid 0.27
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.06
    ethyl propionate 0.03
    nitromethane 1.22
    1,2-diethoxyethane 0.15
    benzonitrile 0.01
    trioctyl phosphate 0.05
    1-bromopropane 0.01
    gamma-valerolactone 2.5
    n-decanol 0.07
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.02
    propionitrile 0.04
    vinylene carbonate 0.11
    1,1,2-trichlorotrifluoroethane 2.55
    DMS 0.08
    cumene 0.0
    2-octanol 0.07
    2-hexanone 0.03
    octyl acetate 0.05
    limonene 0.01
    1,2-dimethoxyethane 1.18
    ethyl orthosilicate 0.05
    tributyl phosphate 0.04
    diacetone alcohol 0.25
    N,N-dimethylaniline 0.02
    acrylonitrile 0.09
    aniline 0.04
    1,3-propanediol 2.7
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.04
    2-methyl-cyclohexyl acetate 0.03
    tetrabutyl urea 0.11
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.07
    dimethyl sulfate 0.6
    ethyl butyrate 0.03
    methyl lactate 1.08
    butyl lactate 0.29
    diethyl carbonate 0.03
    propanediol butyl ether 1.66
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.21
    morpholine 1.46
    tert-butylamine 0.02
    n-dodecanol 0.04
    dimethoxymethane 0.97
    ethylene carbonate 0.08
    cyrene 1.25
    2-ethoxyethyl acetate 0.18
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.04
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.3
    dimethyl isosorbide 0.84
    tetrachloroethylene 0.03
    eugenol 0.32
    triacetin 0.21
    span 80 0.84
    1,4-butanediol 0.67
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.05
    methyl formate 0.64
    2-methyl-1-butanol 0.14
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.27
    tetrahydropyran 0.12
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 1.92
    1-hexene 0.0
    2-isopropoxyethanol 0.61
    2,2,2-trifluoroethanol 0.77
    methyl butyrate 0.05

    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