Pelargonidin Chloride

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  • Identifiers

    CAS number
    134-04-3

    Molecular formula
    C15H11ClO5

    SMILES
    C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 70.15%
    Odorless 46.91%
    Burnt 37.98%
    Medicinal 33.21%
    Smoky 30.99%
    Spicy 23.05%
    Animal 22.96%
    Meaty 22.39%
    Savory 20.75%
    Bitter 20.15%

     

    Flavor
    Bitter 93.32%
    Odorless 23.79%
    Very strong 21.78%
    Indole 21.36%
    Sweet-like 21.25%
    Cedarleaf 20.43%
    Rotten 20.41%
    Flat 20.37%
    Nitrile 20.22%
    Mild 19.98%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.76 (strong base)

    Molecular weight
    306.7 g/mol

    Flash point

    • 234.26 ˚C est.

  • Synonyms

    • Pelargonidin chloride
    • 134-04-3
    • Pelargonidol chloride
    • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
    • 3,4',5,7-Tetrahydroxyflavylium chloride
    • 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride
    • DFL6200791
    • CHEBI:28510
    • DTXSID001020859
    • RefChem:170703
    • DTXCID601505255
    • PELARGONIDIN (CHLORIDE)
    • Pelargonidinchloride
    • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
    • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
    • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
    • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenium chloride
    • CHEMBL591036
    • UNII-DFL6200791
    • EINECS 205-127-7
    • 3,4',5,7-tetrahydroxy-2-phenylbenzopyrylium chloride
    • Pelargonidin(chloride)
    • PELARGONIDIN [MI]
    • SCHEMBL20591
    • orb1684975
    • MSK40123
    • AKOS030573524
    • CS-W012086
    • FP34134
    • HY-W011370
    • AC-34446
    • LS-14367
    • DB-042216
    • Q27103746
    • 134-04-3

  • Applications

    Pelargonidin Chloride (CAS 134-04-3) is the salt form of pelargonidin, used as a natural pigment with potential applications across color formulations. It is commonly evaluated for use as a colorant in cosmetics and personal care; as a natural colorant in food processing where permitted by local regulations; as a pigment for coatings and inks in industrial applications; for polymers and plastics as a colorant; for textile dyeing where compatible, and it may also serve as an intermediate in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.6
    methanol 0.97
    isopropanol 0.57
    water 0.0
    ethyl acetate 0.2
    n-propanol 0.97
    acetone 0.01
    n-butanol 1.27
    acetonitrile 0.02
    DMF 2.94
    toluene 0.0
    isobutanol 0.51
    1,4-dioxane 0.24
    methyl acetate 0.16
    THF 4.42
    2-butanone 0.43
    n-pentanol 0.53
    sec-butanol 1.61
    n-hexane 0.0
    ethylene glycol 1.01
    NMP 4.69
    cyclohexane 0.0
    DMSO 25.94
    n-butyl acetate 0.8
    n-octanol 0.67
    chloroform 0.0
    n-propyl acetate 0.34
    acetic acid 0.53
    dichloromethane 0.0
    cyclohexanone 0.43
    propylene glycol 1.54
    isopropyl acetate 0.32
    DMAc 13.45
    2-ethoxyethanol 6.88
    isopentanol 1.41
    n-heptane 0.0
    ethyl formate 0.18
    1,2-dichloroethane 0.0
    n-hexanol 0.81
    2-methoxyethanol 18.11
    isobutyl acetate 0.14
    tetrachloromethane 0.0
    n-pentyl acetate 0.64
    transcutol 16.98
    n-heptanol 0.93
    ethylbenzene 0.01
    MIBK 0.49
    2-propoxyethanol 11.44
    tert-butanol 1.21
    MTBE 0.31
    2-butoxyethanol 6.25
    propionic acid 0.58
    o-xylene 0.02
    formic acid 1.12
    diethyl ether 0.04
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.29
    n-octane 0.0
    formamide 2.33
    cyclopentanone 1.28
    2-pentanone 0.28
    anisole 0.14
    cyclopentyl methyl ether 0.4
    gamma-butyrolactone 2.07
    1-methoxy-2-propanol 14.66
    pyridine 0.1
    3-pentanone 0.12
    furfural 1.61
    n-dodecane 0.0
    diethylene glycol 9.99
    diisopropyl ether 0.03
    tert-amyl alcohol 2.69
    acetylacetone 0.51
    n-hexadecane 0.0
    acetophenone 0.31
    methyl propionate 0.4
    isopentyl acetate 1.09
    trichloroethylene 0.0
    n-nonanol 0.85
    cyclohexanol 0.4
    benzyl alcohol 0.3
    2-ethylhexanol 0.63
    isooctanol 0.85
    dipropyl ether 0.34
    1,2-dichlorobenzene 0.0
    ethyl lactate 1.42
    propylene carbonate 0.57
    n-methylformamide 1.27
    2-pentanol 0.74
    n-pentane 0.0
    1-propoxy-2-propanol 8.92
    1-methoxy-2-propyl acetate 3.06
    2-(2-methoxypropoxy) propanol 7.84
    mesitylene 0.01
    ε-caprolactone 1.29
    p-cymene 0.07
    epichlorohydrin 0.7
    1,1,1-trichloroethane 0.0
    2-aminoethanol 2.34
    morpholine-4-carbaldehyde 5.86
    sulfolane 8.99
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.03
    n-hexyl acetate 1.09
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 9.88
    sec-butyl acetate 0.33
    tert-butyl acetate 0.89
    decalin 0.0
    glycerin 7.05
    diglyme 13.87
    acrylic acid 0.56
    isopropyl myristate 0.49
    n-butyric acid 1.16
    acetyl acetate 0.1
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 0.42
    nitromethane 0.74
    1,2-diethoxyethane 1.25
    benzonitrile 0.07
    trioctyl phosphate 0.59
    1-bromopropane 0.0
    gamma-valerolactone 5.51
    n-decanol 0.57
    triethyl phosphate 0.74
    4-methyl-2-pentanol 0.57
    propionitrile 0.09
    vinylene carbonate 0.27
    1,1,2-trichlorotrifluoroethane 2.73
    DMS 0.55
    cumene 0.02
    2-octanol 0.52
    2-hexanone 0.45
    octyl acetate 0.66
    limonene 0.09
    1,2-dimethoxyethane 6.59
    ethyl orthosilicate 0.7
    tributyl phosphate 0.66
    diacetone alcohol 6.11
    N,N-dimethylaniline 0.21
    acrylonitrile 0.15
    aniline 0.07
    1,3-propanediol 6.0
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.72
    tetrabutyl urea 1.27
    diisobutyl methanol 0.49
    2-phenylethanol 0.61
    styrene 0.01
    dioctyl adipate 0.85
    dimethyl sulfate 1.37
    ethyl butyrate 0.78
    methyl lactate 2.75
    butyl lactate 2.05
    diethyl carbonate 0.39
    propanediol butyl ether 4.64
    triethyl orthoformate 1.06
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 1.93
    morpholine 1.49
    tert-butylamine 0.19
    n-dodecanol 0.34
    dimethoxymethane 1.81
    ethylene carbonate 0.2
    cyrene 4.29
    2-ethoxyethyl acetate 1.29
    2-ethylhexyl acetate 0.64
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.1
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.49
    DEF 1.56
    dimethyl isosorbide 9.12
    tetrachloroethylene 0.0
    eugenol 2.63
    triacetin 1.34
    span 80 3.69
    1,4-butanediol 0.89
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.85
    methyl formate 0.36
    2-methyl-1-butanol 1.57
    n-decane 0.01
    butyronitrile 0.11
    3,7-dimethyl-1-octanol 0.81
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.58
    tetrahydropyran 0.11
    tert-amyl methyl ether 0.73
    2,5,8-trioxanonane 10.25
    1-hexene 0.0
    2-isopropoxyethanol 3.02
    2,2,2-trifluoroethanol 0.27
    methyl butyrate 0.7

    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