Petunidin

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  • Identifiers

    CAS number
    1429-30-7

    Molecular formula
    C16H13ClO7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 61.96%
    Odorless 56.86%
    Burnt 38.56%
    Smoky 32.49%
    Spicy 25.08%
    Medicinal 25.03%
    Vanilla 21.48%
    Balsamic 20.49%
    Savory 20.08%
    Meaty 17.97%

     

    Flavor
    Bitter 90.54%
    Odorless 27.26%
    Bland 25.86%
    Sweet-like 22.88%
    Eugenol 21.7%
    Mild 21.25%
    Cedarleaf 20.8%
    Parsley 20.6%
    Flat 20.54%
    Very strong 20.33%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.18 (strong base)

    Molecular weight
    352.72 g/mol

    Flash point

    • 249.32 ˚C est.

  • Synonyms

    • Petunidin chloride
    • 1429-30-7
    • Petunidin
    • Petunidol
    • Petunidol chloride
    • NSC11907
    • WRK4Q8K2D8
    • 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium chloride
    • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride
    • NSC-11907
    • CHEBI:75035
    • T544D7TZQ8
    • CHEBI:75318
    • RefChem:172167
    • DTXCID901360383
    • 215-849-4
    • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium
    • 2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol
    • DTXSID90931677
    • Petunidin (chloride)
    • 2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol;chloride
    • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium chloride
    • EINECS 215-849-4
    • NSC 11907
    • UNII-WRK4Q8K2D8
    • Flavylium, 3,3',4',5,7-pentahydroxy-5'-methoxy-, chloride
    • PETUNIDIN [MI]
    • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyryliumchloride
    • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride
    • SCHEMBL21649
    • SCHEMBL29947229
    • SCHEMBL30683343
    • Petunidin (chloride) (Standard)
    • MSK40122
    • AKOS030573511
    • FP76179
    • HY-126410R
    • DA-56711
    • MS-25476
    • HY-126410
    • CS-0103615
    • NS00043984
    • C08727
    • G12073
    • A807987
    • Q3137150
    • Flavylium,3',4',5,7-pentahydroxy-5'-methoxy-, chloride
    • 2-(3,4-dihydroxy-5-methoxy-phenyl)chromenylium-3,5,7-triol
    • 1-Benzopyrylium,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride
    • 2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium-3,5,7-triol chloride
    • 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenylium chloride
    • 2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol chloride
    • 1429-30-7

  • Applications

    Petunidin (CAS 1429-30-7) is an anthocyanin pigment used as a natural colorant in foods and beverages to provide natural hues and exhibit some pH-dependent color variation; in cosmetics and personal care, it serves as a natural colorant for makeup and skincare products; it is also employed as a pigment additive in coatings and inks based on plant-derived pigments; in plastics and polymer applications, Petunidin can be added as a colorant for colored polymers and coating formulations; and as a plant-derived pigment, it is being explored for pH-sensitive color indicators in packaging and sensor applications to signal changes in storage conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.02
    methanol 0.09
    isopropanol 0.02
    water 0.0
    ethyl acetate 0.01
    n-propanol 0.07
    acetone 0.0
    n-butanol 0.07
    acetonitrile 0.0
    DMF 0.49
    toluene 0.0
    isobutanol 0.04
    1,4-dioxane 0.02
    methyl acetate 0.01
    THF 0.16
    2-butanone 0.01
    n-pentanol 0.03
    sec-butanol 0.14
    n-hexane 0.0
    ethylene glycol 0.34
    NMP 2.45
    cyclohexane 0.0
    DMSO 2.32
    n-butyl acetate 0.07
    n-octanol 0.17
    chloroform 0.0
    n-propyl acetate 0.02
    acetic acid 0.06
    dichloromethane 0.0
    cyclohexanone 0.03
    propylene glycol 0.51
    isopropyl acetate 0.02
    DMAc 2.99
    2-ethoxyethanol 1.22
    isopentanol 0.09
    n-heptane 0.0
    ethyl formate 0.01
    1,2-dichloroethane 0.0
    n-hexanol 0.07
    2-methoxyethanol 4.34
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.1
    transcutol 4.17
    n-heptanol 0.21
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 2.61
    tert-butanol 0.07
    MTBE 0.02
    2-butoxyethanol 1.8
    propionic acid 0.13
    o-xylene 0.0
    formic acid 0.47
    diethyl ether 0.0
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.08
    n-octane 0.0
    formamide 0.61
    cyclopentanone 0.06
    2-pentanone 0.01
    anisole 0.01
    cyclopentyl methyl ether 0.04
    gamma-butyrolactone 0.26
    1-methoxy-2-propanol 3.99
    pyridine 0.01
    3-pentanone 0.01
    furfural 0.33
    n-dodecane 0.0
    diethylene glycol 3.25
    diisopropyl ether 0.0
    tert-amyl alcohol 0.34
    acetylacetone 0.02
    n-hexadecane 0.0
    acetophenone 0.03
    methyl propionate 0.06
    isopentyl acetate 0.1
    trichloroethylene 0.0
    n-nonanol 0.21
    cyclohexanol 0.05
    benzyl alcohol 0.03
    2-ethylhexanol 0.08
    isooctanol 0.17
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.34
    propylene carbonate 0.09
    n-methylformamide 0.21
    2-pentanol 0.06
    n-pentane 0.0
    1-propoxy-2-propanol 2.04
    1-methoxy-2-propyl acetate 0.58
    2-(2-methoxypropoxy) propanol 2.25
    mesitylene 0.0
    ε-caprolactone 0.17
    p-cymene 0.01
    epichlorohydrin 0.07
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.7
    morpholine-4-carbaldehyde 2.28
    sulfolane 2.97
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.07
    n-hexyl acetate 0.19
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.64
    sec-butyl acetate 0.02
    tert-butyl acetate 0.08
    decalin 0.0
    glycerin 4.46
    diglyme 4.2
    acrylic acid 0.17
    isopropyl myristate 0.07
    n-butyric acid 0.13
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.15
    ethyl propionate 0.05
    nitromethane 0.06
    1,2-diethoxyethane 0.16
    benzonitrile 0.01
    trioctyl phosphate 0.15
    1-bromopropane 0.0
    gamma-valerolactone 0.7
    n-decanol 0.12
    triethyl phosphate 0.23
    4-methyl-2-pentanol 0.05
    propionitrile 0.01
    vinylene carbonate 0.04
    1,1,2-trichlorotrifluoroethane 1.11
    DMS 0.13
    cumene 0.0
    2-octanol 0.13
    2-hexanone 0.01
    octyl acetate 0.12
    limonene 0.01
    1,2-dimethoxyethane 0.81
    ethyl orthosilicate 0.2
    tributyl phosphate 0.14
    diacetone alcohol 0.84
    N,N-dimethylaniline 0.03
    acrylonitrile 0.01
    aniline 0.01
    1,3-propanediol 1.14
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.11
    tetrabutyl urea 0.29
    diisobutyl methanol 0.07
    2-phenylethanol 0.07
    styrene 0.0
    dioctyl adipate 0.17
    dimethyl sulfate 0.57
    ethyl butyrate 0.11
    methyl lactate 1.08
    butyl lactate 0.54
    diethyl carbonate 0.09
    propanediol butyl ether 1.54
    triethyl orthoformate 0.28
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.58
    morpholine 0.17
    tert-butylamine 0.02
    n-dodecanol 0.07
    dimethoxymethane 0.25
    ethylene carbonate 0.03
    cyrene 1.54
    2-ethoxyethyl acetate 0.23
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.01
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.07
    DEF 0.2
    dimethyl isosorbide 2.67
    tetrachloroethylene 0.0
    eugenol 0.76
    triacetin 0.34
    span 80 1.14
    1,4-butanediol 0.14
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.06
    methyl formate 0.04
    2-methyl-1-butanol 0.14
    n-decane 0.0
    butyronitrile 0.0
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.08
    tetrahydropyran 0.01
    tert-amyl methyl ether 0.1
    2,5,8-trioxanonane 3.06
    1-hexene 0.0
    2-isopropoxyethanol 0.43
    2,2,2-trifluoroethanol 0.08
    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