Protoporphyrin disodium

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  • Identifiers

    CAS number
    50865-01-5

    Molecular formula
    C34H32N4Na2O4

    SMILES
    CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.12%
    Roasted 26.66%
    Burnt 23.32%
    Fatty 23.26%
    Fruity 22.7%
    Savory 22.43%
    Cooked 21.74%
    Musk 19.38%
    Animal 19.02%
    Meaty 18.99%

     

    Flavor
    Bitter 82.27%
    Odorless 37.24%
    Bland 21.0%
    Nitrile 20.38%
    Bread crust 20.0%
    Taco 19.94%
    Very strong 19.78%
    Sweet-like 19.56%
    Cedarleaf 19.46%
    Indole 19.13%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    2.67 (strong acid)

    Molecular weight
    606.6 g/mol

    Flash point

    • 309.67 ˚C est.

  • Synonyms

    • 50865-01-5
    • protoporphyrin disodium
    • Protoporphyrin IX disodium salt
    • Disodium protoporphyrin IX
    • Palepron
    • Protoporphyrin, disodium salt
    • PROTOPORPHYRINDISODIUMSALT
    • Protoporphyrin disodium [JAN]
    • Dojin PM
    • Protoporphyrin sodium
    • Disodium protoporphyrin
    • Protoporphyrin sodium salt
    • Protoporphyrin Disodium Salt
    • MFCD00151108
    • Protoporphyrin IX, disodium salt
    • 54N4UY1C7C
    • DTXSID8046589
    • Protoporphyrin IX disodium
    • NSC-177389
    • disodium 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
    • disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
    • Protoporphyrin disodium (JAN)
    • DTXCID6026589
    • CAS-50865-01-5
    • NCGC00166283-01
    • EINECS 256-815-9
    • NSC 177389
    • UNII-54N4UY1C7C
    • protoporphyrin disodiumsalt
    • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, disodium salt
    • Disodium 3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionate
    • SCHEMBL349121
    • orb2695554
    • CHEMBL2105866
    • SCHEMBL29374729
    • SCHEMBL29409501
    • VWIKDHUBYGYUKW-HXFTUNQESA-L
    • Tox21_112390
    • Disodium 1,3,5,8-tetramethyl-2,4-divinylporphine-6,7-dipropionate
    • AKOS004902788
    • AKOS025394713
    • Tox21_112390_1
    • PROTOPORPHYRIN DISODIUM [WHO-DD]
    • NCGC00015844-10
    • PROTOPORPHYRIN IX DISODIUM [MART.]
    • P0540
    • PROTOPORPHYRIN IX DISODIUM SALT [MI]
    • D02265
    • H55529
    • Protoporphyrin IX disodium salt, >=90% (HPLC)
    • disodium 3-[20-(2-carboxylatoethyl)-10,15-diethenyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]p
    • 50865-01-5

  • Applications

    Protoporphyrin disodium (CAS 50865-01-5) is a water-soluble porphyrin derivative primarily used as an intermediate in porphyrin synthesis and in the preparation of heme-related analogs. In industry and research, it serves as a chromophore and structural unit for the development of dye- and pigment-containing materials such as functional coatings and inks. Its photoactive properties support research into photosensitizers for light-driven processes and into photophysical studies in materials science. When used as a ligand or supporting scaffold, porphyrin derivatives form metal complexes that model catalytic oxidation and other redox reactions. It also serves as an analytical reagent for fluorescence- and absorption-based assays and as a model compound in sensor development for photochemical applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.59
    methanol 1.25
    isopropanol 0.39
    water 0.0
    ethyl acetate 1.57
    n-propanol 0.69
    acetone 1.81
    n-butanol 0.54
    acetonitrile 0.48
    DMF 15.64
    toluene 0.26
    isobutanol 0.42
    1,4-dioxane 4.69
    methyl acetate 2.42
    THF 7.81
    2-butanone 2.98
    n-pentanol 0.56
    sec-butanol 0.52
    n-hexane 0.02
    ethylene glycol 0.33
    NMP 20.09
    cyclohexane 0.01
    DMSO 5.07
    n-butyl acetate 0.86
    n-octanol 0.17
    chloroform 7.39
    n-propyl acetate 1.3
    acetic acid 2.6
    dichloromethane 5.28
    cyclohexanone 3.23
    propylene glycol 0.65
    isopropyl acetate 0.93
    DMAc 25.02
    2-ethoxyethanol 3.92
    isopentanol 0.43
    n-heptane 0.01
    ethyl formate 1.18
    1,2-dichloroethane 1.73
    n-hexanol 0.24
    2-methoxyethanol 5.89
    isobutyl acetate 0.73
    tetrachloromethane 0.31
    n-pentyl acetate 0.88
    transcutol 7.62
    n-heptanol 0.24
    ethylbenzene 0.17
    MIBK 0.78
    2-propoxyethanol 4.54
    tert-butanol 0.31
    MTBE 0.54
    2-butoxyethanol 2.56
    propionic acid 1.56
    o-xylene 0.17
    formic acid 1.91
    diethyl ether 0.61
    m-xylene 0.14
    p-xylene 0.26
    chlorobenzene 0.65
    dimethyl carbonate 2.72
    n-octane 0.01
    formamide 2.83
    cyclopentanone 6.23
    2-pentanone 1.6
    anisole 1.09
    cyclopentyl methyl ether 1.04
    gamma-butyrolactone 8.1
    1-methoxy-2-propanol 4.36
    pyridine 3.99
    3-pentanone 1.52
    furfural 9.65
    n-dodecane 0.01
    diethylene glycol 3.13
    diisopropyl ether 0.12
    tert-amyl alcohol 0.47
    acetylacetone 3.1
    n-hexadecane 0.01
    acetophenone 1.7
    methyl propionate 2.68
    isopentyl acetate 0.8
    trichloroethylene 8.53
    n-nonanol 0.21
    cyclohexanol 0.35
    benzyl alcohol 1.13
    2-ethylhexanol 0.16
    isooctanol 0.22
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.76
    ethyl lactate 1.33
    propylene carbonate 2.69
    n-methylformamide 4.17
    2-pentanol 0.3
    n-pentane 0.01
    1-propoxy-2-propanol 2.54
    1-methoxy-2-propyl acetate 2.64
    2-(2-methoxypropoxy) propanol 3.23
    mesitylene 0.06
    ε-caprolactone 3.86
    p-cymene 0.07
    epichlorohydrin 10.46
    1,1,1-trichloroethane 1.14
    2-aminoethanol 0.73
    morpholine-4-carbaldehyde 19.79
    sulfolane 10.37
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.18
    n-hexyl acetate 0.82
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.44
    sec-butyl acetate 0.84
    tert-butyl acetate 0.94
    decalin 0.01
    glycerin 2.14
    diglyme 8.16
    acrylic acid 2.26
    isopropyl myristate 0.3
    n-butyric acid 1.73
    acetyl acetate 1.24
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 1.41
    nitromethane 9.54
    1,2-diethoxyethane 1.64
    benzonitrile 0.67
    trioctyl phosphate 0.3
    1-bromopropane 0.58
    gamma-valerolactone 21.29
    n-decanol 0.14
    triethyl phosphate 0.76
    4-methyl-2-pentanol 0.19
    propionitrile 0.61
    vinylene carbonate 3.51
    1,1,2-trichlorotrifluoroethane 14.18
    DMS 1.91
    cumene 0.1
    2-octanol 0.15
    2-hexanone 1.46
    octyl acetate 0.45
    limonene 0.09
    1,2-dimethoxyethane 7.19
    ethyl orthosilicate 0.74
    tributyl phosphate 0.4
    diacetone alcohol 1.8
    N,N-dimethylaniline 0.67
    acrylonitrile 1.31
    aniline 0.62
    1,3-propanediol 1.41
    bromobenzene 0.64
    dibromomethane 1.78
    1,1,2,2-tetrachloroethane 5.85
    2-methyl-cyclohexyl acetate 0.79
    tetrabutyl urea 0.83
    diisobutyl methanol 0.12
    2-phenylethanol 0.8
    styrene 0.23
    dioctyl adipate 0.8
    dimethyl sulfate 6.37
    ethyl butyrate 0.93
    methyl lactate 2.69
    butyl lactate 1.25
    diethyl carbonate 0.68
    propanediol butyl ether 1.84
    triethyl orthoformate 1.14
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.72
    morpholine 5.65
    tert-butylamine 0.1
    n-dodecanol 0.09
    dimethoxymethane 5.84
    ethylene carbonate 2.04
    cyrene 4.92
    2-ethoxyethyl acetate 2.74
    2-ethylhexyl acetate 0.62
    1,2,4-trichlorobenzene 1.44
    4-methylpyridine 2.55
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.5
    dimethyl isosorbide 4.62
    tetrachloroethylene 2.59
    eugenol 2.19
    triacetin 2.25
    span 80 1.92
    1,4-butanediol 0.67
    1,1-dichloroethane 1.38
    2-methyl-1-pentanol 0.5
    methyl formate 3.29
    2-methyl-1-butanol 0.49
    n-decane 0.01
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.07
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.66
    tetrahydropyran 1.44
    tert-amyl methyl ether 0.61
    2,5,8-trioxanonane 5.31
    1-hexene 0.11
    2-isopropoxyethanol 2.23
    2,2,2-trifluoroethanol 1.39
    methyl butyrate 1.82

    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