Pelargonidin-3-O-rutinosde chloride

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33978-17-5

    Molecular formula
    C27H31ClO14

    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.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.69%
    Vanilla 32.91%
    Phenolic 28.84%
    Sweet 27.85%
    Savory 22.02%
    Milky 21.17%
    Smoky 21.06%
    Burnt 19.64%
    Bitter 19.41%
    Creamy 19.23%

     

    Flavor
    Bitter 71.76%
    Odorless 36.0%
    Bland 32.87%
    Sweet-like 28.69%
    Cedarleaf 20.23%
    Very slight 19.49%
    Eugenol 19.36%
    Parsley 19.21%
    Very mild 19.19%
    Alkaline 18.96%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.1 (weak base)

    Molecular weight
    615.0 g/mol

    Flash point

    • 295.73 ˚C est.

  • Synonyms

    • Pelargonidin-3-O-rutinosde chloride
    • 33978-17-5
    • orb1680139
    • AKOS040763604
    • FS-7532
    • OP71506
    • (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride
    • 33978-17-5

  • Applications

    Pelargonidin-3-O-rutinosde chloride is primarily applied as a natural pigment in colorant applications across food processing and cosmetics/personal care, leveraging its red hue derived from anthocyanin chemistry. It is also used as a dye/additive in coatings and inks, including polymer and plastic formulations where a plant-based pigment is desired. In industrial and household products, it may serve as a colorant component in cleaners, detergents, and related formulations. The compound is sometimes explored as a pH-responsive pigment for smart coatings and analytical dyeing contexts, and can function as a dye source in research settings and as an intermediate in pigment synthesis. Applications should be pursued in compliance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.57
    methanol 7.65
    isopropanol 0.53
    water 0.11
    ethyl acetate 0.04
    n-propanol 1.53
    acetone 0.32
    n-butanol 0.58
    acetonitrile 0.04
    DMF 6.86
    toluene 0.02
    isobutanol 0.3
    1,4-dioxane 1.81
    methyl acetate 0.13
    THF 3.35
    2-butanone 0.36
    n-pentanol 0.28
    sec-butanol 0.5
    n-hexane 0.0
    ethylene glycol 7.91
    NMP 6.37
    cyclohexane 0.0
    DMSO 17.07
    n-butyl acetate 0.02
    n-octanol 0.21
    chloroform 0.02
    n-propyl acetate 0.03
    acetic acid 3.79
    dichloromethane 0.02
    cyclohexanone 0.43
    propylene glycol 8.96
    isopropyl acetate 0.02
    DMAc 6.13
    2-ethoxyethanol 6.06
    isopentanol 0.17
    n-heptane 0.0
    ethyl formate 0.17
    1,2-dichloroethane 0.03
    n-hexanol 0.1
    2-methoxyethanol 23.01
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.11
    transcutol 7.37
    n-heptanol 0.25
    ethylbenzene 0.01
    MIBK 0.04
    2-propoxyethanol 2.22
    tert-butanol 0.15
    MTBE 0.04
    2-butoxyethanol 2.3
    propionic acid 0.76
    o-xylene 0.01
    formic acid 13.98
    diethyl ether 0.09
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.17
    n-octane 0.0
    formamide 9.53
    cyclopentanone 1.04
    2-pentanone 0.13
    anisole 0.03
    cyclopentyl methyl ether 0.18
    gamma-butyrolactone 1.1
    1-methoxy-2-propanol 6.93
    pyridine 0.42
    3-pentanone 0.08
    furfural 1.34
    n-dodecane 0.0
    diethylene glycol 4.96
    diisopropyl ether 0.01
    tert-amyl alcohol 0.2
    acetylacetone 0.17
    n-hexadecane 0.0
    acetophenone 0.05
    methyl propionate 0.14
    isopentyl acetate 0.02
    trichloroethylene 0.04
    n-nonanol 0.22
    cyclohexanol 0.21
    benzyl alcohol 0.16
    2-ethylhexanol 0.03
    isooctanol 0.12
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.2
    propylene carbonate 0.16
    n-methylformamide 3.99
    2-pentanol 0.13
    n-pentane 0.0
    1-propoxy-2-propanol 0.88
    1-methoxy-2-propyl acetate 0.14
    2-(2-methoxypropoxy) propanol 1.37
    mesitylene 0.0
    ε-caprolactone 0.48
    p-cymene 0.01
    epichlorohydrin 0.98
    1,1,1-trichloroethane 0.0
    2-aminoethanol 9.45
    morpholine-4-carbaldehyde 9.98
    sulfolane 3.8
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.46
    n-hexyl acetate 0.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.1
    sec-butyl acetate 0.01
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 24.13
    diglyme 4.41
    acrylic acid 1.33
    isopropyl myristate 0.03
    n-butyric acid 0.44
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.09
    ethyl propionate 0.03
    nitromethane 2.07
    1,2-diethoxyethane 0.28
    benzonitrile 0.02
    trioctyl phosphate 0.07
    1-bromopropane 0.01
    gamma-valerolactone 6.62
    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 3.09
    DMS 0.07
    cumene 0.0
    2-octanol 0.11
    2-hexanone 0.07
    octyl acetate 0.09
    limonene 0.01
    1,2-dimethoxyethane 2.46
    ethyl orthosilicate 0.03
    tributyl phosphate 0.05
    diacetone alcohol 0.4
    N,N-dimethylaniline 0.03
    acrylonitrile 0.11
    aniline 0.09
    1,3-propanediol 8.36
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.05
    2-methyl-cyclohexyl acetate 0.03
    tetrabutyl urea 0.14
    diisobutyl methanol 0.02
    2-phenylethanol 0.07
    styrene 0.01
    dioctyl adipate 0.1
    dimethyl sulfate 0.48
    ethyl butyrate 0.03
    methyl lactate 1.15
    butyl lactate 0.38
    diethyl carbonate 0.02
    propanediol butyl ether 3.47
    triethyl orthoformate 0.05
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.23
    morpholine 4.99
    tert-butylamine 0.03
    n-dodecanol 0.06
    dimethoxymethane 2.34
    ethylene carbonate 0.11
    cyrene 1.83
    2-ethoxyethyl acetate 0.33
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.11
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.4
    dimethyl isosorbide 0.97
    tetrachloroethylene 0.04
    eugenol 0.41
    triacetin 0.28
    span 80 1.46
    1,4-butanediol 1.8
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.1
    methyl formate 1.78
    2-methyl-1-butanol 0.25
    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 0.54
    tetrahydropyran 0.41
    tert-amyl methyl ether 0.06
    2,5,8-trioxanonane 2.97
    1-hexene 0.01
    2-isopropoxyethanol 1.12
    2,2,2-trifluoroethanol 0.94
    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