Delphinidin 3-(6''-acetylglucoside)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    66594-00-1

    Molecular formula
    C23H23O13+

    SMILES
    CC(=O)OC[C@@H]1[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)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 80.1%
    Phenolic 32.78%
    Vanilla 23.48%
    Burnt 21.71%
    Savory 19.96%
    Milky 19.75%
    Smoky 19.13%
    Balsamic 17.47%
    Bitter 16.1%
    Creamy 15.28%

     

    Flavor
    Bitter 81.66%
    Odorless 39.29%
    Bland 36.25%
    Sweet-like 26.96%
    Mild 22.22%
    Very mild 21.78%
    Cedarleaf 20.32%
    Eugenol 20.16%
    Parsley 20.14%
    Lovage 19.45%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.36 (weak base)

    Molecular weight
    507.4 g/mol

    Flash point

    • 302.76 ˚C est.

  • Synonyms

    • Delphinidin 3-(6''-acetylglucoside)
    • RefChem:1083080
    • Delphinidin 3-(acetylglucoside)
    • Delphinidin 3-(acetyl-glucoside)
    • Delphinidin 3-(6''-acetyl-glucoside)
    • delphinidin 3-O-(6-O-acetyl-beta-D-glucoside)
    • 66594-00-1
    • [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
    • CHEBI:75678
    • DTXSID301341486
    • Delphinidin 3-O-(6''-acetyl-glucoside)
    • Q27145473
    • 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-acetyl-beta-D-glucopyranoside
    • 66594-00-1

  • Applications

    Delphinidin 3-(6''-acetylglucoside) (CAS 66594-00-1) is a natural anthocyanin pigment used primarily as a colorant and antioxidant in plant-based formulations. In cosmetics and personal care, it is considered for use as a natural pigment and stabilizing colorant in color cosmetics and hair care products, with formulation constraints due to stability. In food processing, it may serve as a natural colorant for beverages, confectionery, and other foods, although performance depends on pH, light exposure, and storage. In coatings and inks, it can function as a natural dye for packaging coatings and eco-friendly inks, contributing vivid hues. In polymers and plastics, it is sometimes explored as a bio-based pigment additive for colored films and packaging polymers, with performance dependent on the matrix and processing. In pharmaceutical or nutraceutical research, Delphinidin 3-(6''-acetylglucoside) is often evaluated as a pigment reference and antioxidant marker in phytochemical studies and may be incorporated into experimental formulations under appropriate regulatory controls and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.89
    methanol 1.59
    isopropanol 0.5
    water 0.11
    ethyl acetate 0.05
    n-propanol 1.25
    acetone 0.11
    n-butanol 0.4
    acetonitrile 0.04
    DMF 12.54
    toluene 0.01
    isobutanol 0.24
    1,4-dioxane 1.13
    methyl acetate 0.16
    THF 2.05
    2-butanone 0.32
    n-pentanol 0.15
    sec-butanol 0.58
    n-hexane 0.0
    ethylene glycol 10.17
    NMP 13.29
    cyclohexane 0.0
    DMSO 24.65
    n-butyl acetate 0.03
    n-octanol 0.13
    chloroform 0.0
    n-propyl acetate 0.03
    acetic acid 4.02
    dichloromethane 0.01
    cyclohexanone 0.26
    propylene glycol 14.47
    isopropyl acetate 0.03
    DMAc 15.68
    2-ethoxyethanol 9.62
    isopentanol 0.12
    n-heptane 0.0
    ethyl formate 0.14
    1,2-dichloroethane 0.01
    n-hexanol 0.05
    2-methoxyethanol 36.3
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 8.38
    n-heptanol 0.15
    ethylbenzene 0.0
    MIBK 0.03
    2-propoxyethanol 3.15
    tert-butanol 0.19
    MTBE 0.04
    2-butoxyethanol 2.53
    propionic acid 1.2
    o-xylene 0.01
    formic acid 15.95
    diethyl ether 0.06
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.3
    n-octane 0.0
    formamide 14.74
    cyclopentanone 0.8
    2-pentanone 0.09
    anisole 0.03
    cyclopentyl methyl ether 0.14
    gamma-butyrolactone 1.48
    1-methoxy-2-propanol 13.1
    pyridine 0.27
    3-pentanone 0.08
    furfural 1.4
    n-dodecane 0.0
    diethylene glycol 8.63
    diisopropyl ether 0.01
    tert-amyl alcohol 0.26
    acetylacetone 0.14
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.22
    isopentyl acetate 0.02
    trichloroethylene 0.01
    n-nonanol 0.15
    cyclohexanol 0.18
    benzyl alcohol 0.09
    2-ethylhexanol 0.02
    isooctanol 0.08
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.39
    propylene carbonate 0.18
    n-methylformamide 5.3
    2-pentanol 0.13
    n-pentane 0.0
    1-propoxy-2-propanol 1.44
    1-methoxy-2-propyl acetate 0.22
    2-(2-methoxypropoxy) propanol 1.89
    mesitylene 0.0
    ε-caprolactone 0.45
    p-cymene 0.0
    epichlorohydrin 0.65
    1,1,1-trichloroethane 0.0
    2-aminoethanol 14.17
    morpholine-4-carbaldehyde 16.4
    sulfolane 5.98
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.37
    n-hexyl acetate 0.09
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.54
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 52.56
    diglyme 6.02
    acrylic acid 2.05
    isopropyl myristate 0.03
    n-butyric acid 0.46
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.07
    ethyl propionate 0.04
    nitromethane 3.21
    1,2-diethoxyethane 0.26
    benzonitrile 0.01
    trioctyl phosphate 0.06
    1-bromopropane 0.01
    gamma-valerolactone 7.08
    n-decanol 0.09
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.03
    propionitrile 0.05
    vinylene carbonate 0.15
    1,1,2-trichlorotrifluoroethane 3.55
    DMS 0.09
    cumene 0.0
    2-octanol 0.08
    2-hexanone 0.05
    octyl acetate 0.06
    limonene 0.01
    1,2-dimethoxyethane 3.83
    ethyl orthosilicate 0.05
    tributyl phosphate 0.05
    diacetone alcohol 0.53
    N,N-dimethylaniline 0.03
    acrylonitrile 0.12
    aniline 0.06
    1,3-propanediol 9.62
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.03
    tetrabutyl urea 0.15
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.09
    dimethyl sulfate 1.03
    ethyl butyrate 0.04
    methyl lactate 2.44
    butyl lactate 0.38
    diethyl carbonate 0.03
    propanediol butyl ether 3.41
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.22
    morpholine 4.05
    tert-butylamine 0.03
    n-dodecanol 0.05
    dimethoxymethane 2.94
    ethylene carbonate 0.11
    cyrene 2.32
    2-ethoxyethyl acetate 0.23
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.07
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.55
    dimethyl isosorbide 1.43
    tetrachloroethylene 0.02
    eugenol 0.44
    triacetin 0.28
    span 80 1.49
    1,4-butanediol 1.76
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.06
    methyl formate 1.82
    2-methyl-1-butanol 0.21
    n-decane 0.0
    butyronitrile 0.03
    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 0.59
    tetrahydropyran 0.25
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 4.06
    1-hexene 0.0
    2-isopropoxyethanol 1.58
    2,2,2-trifluoroethanol 1.44
    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