Hematin porcine

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  • Identifiers

    CAS number
    15489-90-4

    Molecular formula
    C34H34FeN4O5

    SMILES
    CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.O.[Fe+2]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 49.1%
    Roasted 32.82%
    Meaty 25.02%
    Burnt 24.95%
    Savory 24.73%
    Cooked 23.9%
    Fatty 21.23%
    Fruity 21.21%
    Nutty 20.4%
    Milky 17.72%

     

    Flavor
    Bitter 78.27%
    Odorless 41.09%
    Bland 21.99%
    Taco 20.66%
    Nitrile 20.52%
    Bread crust 20.5%
    Sweet-like 19.88%
    Roasted peanuts 19.81%
    Cedarleaf 19.62%
    Very strong 19.54%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.05 (weak acid)

    Molecular weight
    634.5 g/mol

    Flash point

    • 299.23 ˚C est.

  • Synonyms

    • hematin
    • Hematin porcine
    • 15489-90-4
    • orb1306876
    • AKOS015903749
    • A12096
    • 15489-90-4

  • Applications

    Hematin porcine (CAS 15489-90-4) is used as an iron-containing porphyrin reagent primarily in biochemical research, serving as a source of heme for reconstituting hemeproteins and as a model compound for studying heme chemistry via spectroscopic methods; it also functions as a pigment/colorant in coatings, inks, and plastics due to its dark coloration; it can act as a starting material or reference for the synthesis of porphyrin derivatives and heme-based catalytic materials in industrial manufacturing; and it may be evaluated for analytical or diagnostic reagent applications in research settings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.05
    methanol 2.51
    isopropanol 0.7
    water 0.01
    ethyl acetate 2.77
    n-propanol 1.32
    acetone 3.16
    n-butanol 0.98
    acetonitrile 1.05
    DMF 27.56
    toluene 0.62
    isobutanol 0.78
    1,4-dioxane 9.15
    methyl acetate 4.48
    THF 14.42
    2-butanone 5.15
    n-pentanol 0.98
    sec-butanol 0.94
    n-hexane 0.04
    ethylene glycol 0.73
    NMP 37.68
    cyclohexane 0.03
    DMSO 9.15
    n-butyl acetate 1.5
    n-octanol 0.31
    chloroform 16.74
    n-propyl acetate 2.18
    acetic acid 5.44
    dichloromethane 12.35
    cyclohexanone 6.18
    propylene glycol 1.25
    isopropyl acetate 1.55
    DMAc 43.57
    2-ethoxyethanol 6.17
    isopentanol 0.74
    n-heptane 0.03
    ethyl formate 2.26
    1,2-dichloroethane 3.96
    n-hexanol 0.46
    2-methoxyethanol 9.91
    isobutyl acetate 1.27
    tetrachloromethane 0.75
    n-pentyl acetate 1.51
    transcutol 9.92
    n-heptanol 0.47
    ethylbenzene 0.39
    MIBK 1.26
    2-propoxyethanol 7.55
    tert-butanol 0.55
    MTBE 0.89
    2-butoxyethanol 4.2
    propionic acid 3.33
    o-xylene 0.39
    formic acid 4.03
    diethyl ether 1.14
    m-xylene 0.32
    p-xylene 0.58
    chlorobenzene 1.62
    dimethyl carbonate 5.53
    n-octane 0.02
    formamide 5.54
    cyclopentanone 11.58
    2-pentanone 2.71
    anisole 2.13
    cyclopentyl methyl ether 2.17
    gamma-butyrolactone 15.66
    1-methoxy-2-propanol 6.92
    pyridine 8.75
    3-pentanone 2.84
    furfural 17.07
    n-dodecane 0.01
    diethylene glycol 5.29
    diisopropyl ether 0.21
    tert-amyl alcohol 0.81
    acetylacetone 4.59
    n-hexadecane 0.02
    acetophenone 3.17
    methyl propionate 5.0
    isopentyl acetate 1.37
    trichloroethylene 17.87
    n-nonanol 0.4
    cyclohexanol 0.76
    benzyl alcohol 2.25
    2-ethylhexanol 0.34
    isooctanol 0.42
    dipropyl ether 0.92
    1,2-dichlorobenzene 1.76
    ethyl lactate 2.46
    propylene carbonate 5.04
    n-methylformamide 7.97
    2-pentanol 0.54
    n-pentane 0.03
    1-propoxy-2-propanol 4.19
    1-methoxy-2-propyl acetate 4.22
    2-(2-methoxypropoxy) propanol 4.72
    mesitylene 0.14
    ε-caprolactone 7.47
    p-cymene 0.16
    epichlorohydrin 19.32
    1,1,1-trichloroethane 2.42
    2-aminoethanol 1.55
    morpholine-4-carbaldehyde 34.67
    sulfolane 18.87
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.19
    n-hexyl acetate 1.32
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.88
    sec-butyl acetate 1.42
    tert-butyl acetate 1.46
    decalin 0.03
    glycerin 4.09
    diglyme 11.63
    acrylic acid 5.01
    isopropyl myristate 0.51
    n-butyric acid 3.18
    acetyl acetate 2.1
    di(2-ethylhexyl) phthalate 1.16
    ethyl propionate 2.44
    nitromethane 16.57
    1,2-diethoxyethane 2.54
    benzonitrile 1.57
    trioctyl phosphate 0.55
    1-bromopropane 1.27
    gamma-valerolactone 35.75
    n-decanol 0.26
    triethyl phosphate 1.32
    4-methyl-2-pentanol 0.33
    propionitrile 1.27
    vinylene carbonate 7.15
    1,1,2-trichlorotrifluoroethane 24.47
    DMS 3.38
    cumene 0.23
    2-octanol 0.28
    2-hexanone 2.38
    octyl acetate 0.77
    limonene 0.21
    1,2-dimethoxyethane 11.47
    ethyl orthosilicate 1.26
    tributyl phosphate 0.71
    diacetone alcohol 2.69
    N,N-dimethylaniline 1.39
    acrylonitrile 2.86
    aniline 1.57
    1,3-propanediol 2.61
    bromobenzene 1.62
    dibromomethane 4.25
    1,1,2,2-tetrachloroethane 12.67
    2-methyl-cyclohexyl acetate 1.48
    tetrabutyl urea 1.39
    diisobutyl methanol 0.22
    2-phenylethanol 1.64
    styrene 0.53
    dioctyl adipate 1.38
    dimethyl sulfate 11.86
    ethyl butyrate 1.59
    methyl lactate 5.05
    butyl lactate 2.12
    diethyl carbonate 1.23
    propanediol butyl ether 2.75
    triethyl orthoformate 1.95
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 2.78
    morpholine 10.71
    tert-butylamine 0.2
    n-dodecanol 0.17
    dimethoxymethane 10.85
    ethylene carbonate 4.21
    cyrene 7.85
    2-ethoxyethyl acetate 4.14
    2-ethylhexyl acetate 1.13
    1,2,4-trichlorobenzene 3.27
    4-methylpyridine 5.41
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.22
    DEF 6.49
    dimethyl isosorbide 7.34
    tetrachloroethylene 5.99
    eugenol 3.6
    triacetin 3.57
    span 80 3.05
    1,4-butanediol 1.23
    1,1-dichloroethane 3.03
    2-methyl-1-pentanol 0.87
    methyl formate 6.38
    2-methyl-1-butanol 0.9
    n-decane 0.03
    butyronitrile 0.91
    3,7-dimethyl-1-octanol 0.29
    1-chlorooctane 0.16
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 1.32
    tetrahydropyran 2.85
    tert-amyl methyl ether 1.02
    2,5,8-trioxanonane 7.8
    1-hexene 0.22
    2-isopropoxyethanol 3.59
    2,2,2-trifluoroethanol 2.85
    methyl butyrate 3.11

    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