Hematein

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  • Identifiers

    CAS number
    475-25-2

    Molecular formula
    C16H12O6

    SMILES
    C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.86%
    Burnt 30.2%
    Phenolic 27.88%
    Caramellic 21.09%
    Savory 20.23%
    Spicy 19.93%
    Vanilla 18.8%
    Sweet 17.93%
    Smoky 15.6%
    Milky 15.12%

     

    Flavor
    Bitter 88.95%
    Odorless 20.9%
    Sweet-like 20.89%
    Bland 20.67%
    Lovage 19.24%
    Cedarleaf 19.15%
    Fenugreek 18.61%
    Nitrile 18.51%
    Parsley 18.31%
    Maple syrup 18.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    8.3 (weak base)

    Molecular weight
    300.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    886°C

    Flash point

    • 289.26 ˚C est.

  • Synonyms

    • HEMATEIN
    • 475-25-2
    • Haematein
    • Hematine
    • 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one
    • NSC7333
    • 88Q1SYD10B
    • Hydroxybrasilein
    • Hematein, for microscopy (Hist.)
    • NSC-7333
    • Benz[b]indeno[1,2-d]pyran-9(6H)-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-
    • 4,6a,9,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one
    • 3,4,6a,10-tetrahydroxy-6a,7-dihydroindeno[2,1-c]chromen-9(6H)-one
    • 6a,7-Dihydro-3,4,6a,10-tetrahydroxybenz(b)indeno(1,2-d)pyran-9(6H)-one
    • Benz(b)indeno(1,2-d)pyran-9(6H)-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-
    • Hematein (Technical Grade)
    • 3,4,10,6a-tetrahydroxy-7,6a-dihydroindeno[2,1-c]chroman-9-one
    • MFCD00036187
    • 3,4,6a,10-tetrahydroxy-6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9(6H)-one
    • NSC 7333
    • EINECS 207-492-8
    • BRN 0093039
    • UNII-88Q1SYD10B
    • Haematine
    • AI3-63013
    • CTK8B3911
    • Spectrum_001226
    • SpecPlus_000484
    • HEMATEIN [MI]
    • Spectrum2_000612
    • Spectrum3_001540
    • Spectrum4_001698
    • Spectrum5_000376
    • 3,4,6a,10-Tetrahydroxy-6a,7-dihydrobenz(b)indeno(1,2-d)pyran-9(6H)-one
    • US8987474, Hematin
    • (+/-)-HEMATEIN
    • BSPBio_002960
    • KBioGR_001996
    • KBioSS_001706
    • 4-18-00-03343 (Beilstein Handbook Reference)
    • DivK1c_006580
    • SCHEMBL169328
    • SPECTRUM1502253
    • SPBio_000544
    • orb1707221
    • CHEMBL1360563
    • CHEMBL1730100
    • HEMATEIN, (+/-)-
    • SCHEMBL23043849
    • SCHEMBL29378818
    • SCHEMBL29735713
    • CHEBI:90116
    • KBio1_001524
    • KBio2_001706
    • KBio2_004274
    • KBio2_006842
    • KBio3_002460
    • DTXSID40874767
    • HNNSUZPWERIYIL-UHFFFAOYSA-N
    • BDBM152157
    • BB_NC-00763
    • CCG-39273
    • SBB006464
    • STL372875
    • AKOS024282604
    • FH59506
    • SDCCGMLS-0066710.P001
    • SMP1_000180
    • NCGC00017347-02
    • NCGC00017347-03
    • NCGC00095664-01
    • NCGC00095664-02
    • MS-24323
    • ST057211
    • DB-051457
    • HY-119751
    • CS-0077926
    • NS00042443
    • G12090
    • SR-05000002557
    • Q8214058
    • SR-05000002557-1
    • Benz[b]indeno[1, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-
    • 475-25-2

  • Applications

    Hematein (CAS 475-25-2) is primarily employed as a staining reagent in histology and pathology, where it forms nuclear blue-purple complexes when used with a mordant such as alum or iron in hematoxylin staining protocols and tissue sections; in the chemical and pigment industries it can be used as a dye intermediate or precursor for colorant formulations; it is commonly supplied for research laboratories as a component of microscopy kits and histology staining reagents; it may also appear as a specialty dye intermediate in manufacturing processes, with its use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.85
    methanol 4.16
    isopropanol 1.1
    water 0.16
    ethyl acetate 2.3
    n-propanol 1.35
    acetone 1.49
    n-butanol 1.11
    acetonitrile 1.18
    DMF 29.18
    toluene 0.43
    isobutanol 0.62
    1,4-dioxane 5.26
    methyl acetate 1.68
    THF 15.84
    2-butanone 2.08
    n-pentanol 0.81
    sec-butanol 0.69
    n-hexane 0.02
    ethylene glycol 8.32
    NMP 22.75
    cyclohexane 0.03
    DMSO 31.23
    n-butyl acetate 2.38
    n-octanol 3.09
    chloroform 0.07
    n-propyl acetate 2.07
    acetic acid 4.88
    dichloromethane 0.11
    cyclohexanone 4.02
    propylene glycol 4.12
    isopropyl acetate 2.47
    DMAc 32.92
    2-ethoxyethanol 17.64
    isopentanol 1.15
    n-heptane 0.09
    ethyl formate 1.91
    1,2-dichloroethane 0.19
    n-hexanol 1.5
    2-methoxyethanol 38.97
    isobutyl acetate 0.87
    tetrachloromethane 0.04
    n-pentyl acetate 4.31
    transcutol 31.63
    n-heptanol 3.6
    ethylbenzene 0.31
    MIBK 2.26
    2-propoxyethanol 22.55
    tert-butanol 1.43
    MTBE 0.56
    2-butoxyethanol 15.88
    propionic acid 2.39
    o-xylene 0.47
    formic acid 16.54
    diethyl ether 0.97
    m-xylene 0.46
    p-xylene 0.33
    chlorobenzene 0.16
    dimethyl carbonate 6.47
    n-octane 0.09
    formamide 30.38
    cyclopentanone 7.67
    2-pentanone 2.35
    anisole 1.83
    cyclopentyl methyl ether 2.97
    gamma-butyrolactone 10.95
    1-methoxy-2-propanol 27.6
    pyridine 3.48
    3-pentanone 1.53
    furfural 11.7
    n-dodecane 0.08
    diethylene glycol 33.52
    diisopropyl ether 0.4
    tert-amyl alcohol 1.09
    acetylacetone 6.49
    n-hexadecane 0.1
    acetophenone 3.15
    methyl propionate 4.01
    isopentyl acetate 2.37
    trichloroethylene 0.43
    n-nonanol 3.49
    cyclohexanol 1.04
    benzyl alcohol 2.75
    2-ethylhexanol 1.3
    isooctanol 2.61
    dipropyl ether 2.02
    1,2-dichlorobenzene 0.28
    ethyl lactate 5.71
    propylene carbonate 3.84
    n-methylformamide 14.15
    2-pentanol 0.72
    n-pentane 0.02
    1-propoxy-2-propanol 13.93
    1-methoxy-2-propyl acetate 9.86
    2-(2-methoxypropoxy) propanol 14.52
    mesitylene 0.33
    ε-caprolactone 5.57
    p-cymene 0.62
    epichlorohydrin 6.24
    1,1,1-trichloroethane 0.07
    2-aminoethanol 6.97
    morpholine-4-carbaldehyde 33.7
    sulfolane 20.37
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.56
    n-hexyl acetate 4.94
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 19.25
    sec-butyl acetate 1.37
    tert-butyl acetate 3.25
    decalin 0.04
    glycerin 25.77
    diglyme 29.95
    acrylic acid 4.22
    isopropyl myristate 2.15
    n-butyric acid 2.88
    acetyl acetate 1.97
    di(2-ethylhexyl) phthalate 3.12
    ethyl propionate 2.42
    nitromethane 11.94
    1,2-diethoxyethane 5.91
    benzonitrile 1.52
    trioctyl phosphate 2.7
    1-bromopropane 0.09
    gamma-valerolactone 23.19
    n-decanol 2.39
    triethyl phosphate 2.5
    4-methyl-2-pentanol 0.87
    propionitrile 1.38
    vinylene carbonate 3.87
    1,1,2-trichlorotrifluoroethane 13.18
    DMS 4.78
    cumene 0.27
    2-octanol 2.09
    2-hexanone 1.64
    octyl acetate 3.18
    limonene 0.71
    1,2-dimethoxyethane 19.06
    ethyl orthosilicate 2.27
    tributyl phosphate 2.23
    diacetone alcohol 10.25
    N,N-dimethylaniline 1.84
    acrylonitrile 3.11
    aniline 1.33
    1,3-propanediol 9.96
    bromobenzene 0.12
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.45
    2-methyl-cyclohexyl acetate 2.64
    tetrabutyl urea 4.81
    diisobutyl methanol 1.14
    2-phenylethanol 3.95
    styrene 0.28
    dioctyl adipate 3.66
    dimethyl sulfate 11.31
    ethyl butyrate 2.74
    methyl lactate 13.35
    butyl lactate 6.87
    diethyl carbonate 2.07
    propanediol butyl ether 13.64
    triethyl orthoformate 3.36
    p-tert-butyltoluene 0.63
    methyl 4-tert-butylbenzoate 7.79
    morpholine 9.55
    tert-butylamine 0.41
    n-dodecanol 1.56
    dimethoxymethane 24.79
    ethylene carbonate 3.13
    cyrene 14.75
    2-ethoxyethyl acetate 8.37
    2-ethylhexyl acetate 1.74
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 2.13
    dibutyl ether 1.86
    2,6-dimethyl-4-heptanol 1.14
    DEF 7.35
    dimethyl isosorbide 18.71
    tetrachloroethylene 0.47
    eugenol 10.51
    triacetin 8.26
    span 80 9.89
    1,4-butanediol 3.29
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.76
    methyl formate 7.95
    2-methyl-1-butanol 0.8
    n-decane 0.17
    butyronitrile 1.0
    3,7-dimethyl-1-octanol 2.06
    1-chlorooctane 0.63
    1-chlorotetradecane 0.26
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.04
    cyclopentanol 1.42
    tetrahydropyran 1.67
    tert-amyl methyl ether 0.86
    2,5,8-trioxanonane 22.58
    1-hexene 0.08
    2-isopropoxyethanol 8.56
    2,2,2-trifluoroethanol 3.4
    methyl butyrate 2.89

    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