Methylene Blue Trihydrate

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  • Identifiers

    CAS number
    7220-79-3

    Molecular formula
    C16H24ClN3O3S

    SMILES
    CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.O.O.[Cl-]

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Roasted 49.43%
    Fruity 47.31%
    Burnt 33.91%
    Meaty 33.42%
    Nutty 32.14%
    Earthy 29.76%
    Animal 28.58%
    Coffee 26.53%
    Cooked 24.73%
    Musty 24.31%

     

    Flavor
    Bitter 50.43%
    Roasted 28.43%
    Earthy 25.75%
    Musty 22.08%
    Green pepper 21.95%
    Nutty 21.84%
    Carrot 21.65%
    Syrup 21.64%
    Burnt almonds 21.13%
    Roasted peanuts 21.09%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.43 (neutral)

    Molecular weight
    373.9 g/mol

    Melting point expt.

    • 374 °F (decomposes) (NTP, 1992)

    Flash point

    • 215.05 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)

  • Synonyms

    • Methylene Blue trihydrate
    • 7220-79-3
    • Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, trihydrate
    • 3,7-Bis(dimethylamino)phenothiazin-5-ium chloride trihydrate
    • C.I. Basic Blue 9, trihydrate
    • CCRIS 9312
    • DTXSID0025600
    • UNII-T42P99266K
    • Methylene blue (USP)
    • Methylene blue [USP]
    • DTXCID705600
    • METHYLENE BLUE TRIHYDRATE [MI]
    • NSC 759135
    • C.I. Basic Blue 9, trihydrate (8CI)
    • RefChem:158183
    • METHYLTHIONINE TRIHYDRATE
    • TETRAMETHYLENE BLUE TRIHYDRATE
    • METHYLTHIONINE CHLORIDE TRIHYDRATE
    • 3,7Bis(dimethylamino)phenazathionium chloride trihydrate
    • 3,7Bis(dimethylamino)phenothiazin5ium chloride trihydrate
    • 3,7Bis(dimethylamino)phenothiazin5ium, chloride, trihydrate
    • Phenothiazin5ium, 3,7bis(dimethylamino), chloride, trihydrate
    • 3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE TRIHYDRATE
    • 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, CHLORIDE, TRIHYDRATE
    • 7-(DIMETHYLAMINO)-3-(METHYLIMINO)-3H-PHENOTHIAZINE, 3-METHOCHLORIDE TRIHYDRATE
    • 7220-79-3 (hdyrate)
    • MFCD00150008
    • methylthioninium chloride hydrate
    • C16H18ClN3S
    • MFCD00150006
    • Provayblue (TN)
    • Methylene Blue Active Substance; Basic blue 9; Methylthionine chloride; Methylene Blue trihydrate;
    • MethyleneBluetrihydrate
    • Methylene Blue, high purity, biological stain
    • METHYLENE BLUE [II]
    • METHYLENE BLUE [HPUS]
    • METHYLENE BLUE [IARC]
    • METHYLENE BLUE [VANDF]
    • CHEMBL550495
    • orb1311034
    • SCHEMBL1207311
    • METHYLENE BLUE [USP-RS]
    • SCHEMBL29357640
    • SCHEMBL29389009
    • SCHEMBL31038651
    • XQAXGZLFSSPBMK-UHFFFAOYSA-M
    • Methylene Blue (C.I. 52015)
    • Tox21_202525
    • HB0409
    • METHYLENE BLUE [ORANGE BOOK]
    • AKOS015915395
    • METHYLENE BLUE [USP MONOGRAPH]
    • AC-8349
    • NCGC00091924-01
    • NCGC00260074-01
    • BS-42699
    • SY061706
    • CAS-7220-79-3
    • ST50406156
    • D02312
    • E76384
    • F492385
    • METHYLTHIONINIUM CHLORIDE TRIHYDRATE [WHO-IP]
    • METHYLTHIONINII CHLORIDUM TRIHYDRATE [WHO-IP LATIN]
    • [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
    • 3,7-Bis(dimethylamino)phenothiazin-5-ium chloride--water (1/1/3)
    • Methylene Blue Trihydrate, Certified by Biological Stain Commission
    • [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium;chloride;trihydrate
    • [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate
    • [7-(dimethylamino)benzo[e]benzo[3,4-b]1,4-thiazin-3-yl]dimethylamine, hydrate, hydrate, hydrate, chloride
    • 7220-79-3

  • Applications

    Methylene Blue Trihydrate (CAS 7220-79-3) is commonly used as a biological stain for microscopy and histology/cytology, as a redox indicator in analytical chemistry and electrochemical experiments, as a tracer dye for water testing and leak-detection studies, as a colorant for textiles, inks, coatings and plastics, and as a reagent for teaching and general laboratory research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.55
    methanol 24.68
    isopropanol 10.74
    water 0.98
    ethyl acetate 40.35
    n-propanol 23.08
    acetone 20.49
    n-butanol 19.3
    acetonitrile 21.11
    DMF 147.12
    toluene 9.03
    isobutanol 16.77
    1,4-dioxane 52.52
    methyl acetate 46.83
    THF 89.09
    2-butanone 31.74
    n-pentanol 18.72
    sec-butanol 12.8
    n-hexane 0.82
    ethylene glycol 19.73
    NMP 123.01
    cyclohexane 1.63
    DMSO 82.44
    n-butyl acetate 38.5
    n-octanol 6.98
    chloroform 155.6
    n-propyl acetate 32.42
    acetic acid 69.5
    dichloromethane 165.33
    cyclohexanone 58.97
    propylene glycol 15.65
    isopropyl acetate 20.97
    DMAc 172.98
    2-ethoxyethanol 74.31
    isopentanol 17.08
    n-heptane 1.29
    ethyl formate 49.41
    1,2-dichloroethane 86.27
    n-hexanol 20.92
    2-methoxyethanol 113.46
    isobutyl acetate 25.28
    tetrachloromethane 19.51
    n-pentyl acetate 22.9
    transcutol 127.0
    n-heptanol 12.44
    ethylbenzene 6.38
    MIBK 16.44
    2-propoxyethanol 81.06
    tert-butanol 11.34
    MTBE 9.86
    2-butoxyethanol 44.98
    propionic acid 39.14
    o-xylene 8.39
    formic acid 52.25
    diethyl ether 12.95
    m-xylene 7.9
    p-xylene 10.93
    chlorobenzene 29.26
    dimethyl carbonate 42.3
    n-octane 0.67
    formamide 82.77
    cyclopentanone 83.19
    2-pentanone 22.68
    anisole 21.8
    cyclopentyl methyl ether 35.56
    gamma-butyrolactone 128.84
    1-methoxy-2-propanol 54.98
    pyridine 67.27
    3-pentanone 22.86
    furfural 152.87
    n-dodecane 0.59
    diethylene glycol 83.86
    diisopropyl ether 3.97
    tert-amyl alcohol 14.38
    acetylacetone 36.82
    n-hexadecane 0.67
    acetophenone 36.44
    methyl propionate 52.31
    isopentyl acetate 36.52
    trichloroethylene 198.88
    n-nonanol 7.98
    cyclohexanol 20.44
    benzyl alcohol 34.12
    2-ethylhexanol 15.98
    isooctanol 11.4
    dipropyl ether 14.32
    1,2-dichlorobenzene 35.92
    ethyl lactate 30.78
    propylene carbonate 77.74
    n-methylformamide 80.77
    2-pentanol 10.02
    n-pentane 0.78
    1-propoxy-2-propanol 42.88
    1-methoxy-2-propyl acetate 57.91
    2-(2-methoxypropoxy) propanol 37.79
    mesitylene 4.7
    ε-caprolactone 73.7
    p-cymene 9.53
    epichlorohydrin 164.58
    1,1,1-trichloroethane 52.15
    2-aminoethanol 29.84
    morpholine-4-carbaldehyde 176.7
    sulfolane 125.84
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 50.63
    n-hexyl acetate 19.37
    isooctane 0.46
    2-(2-butoxyethoxy)ethanol 50.07
    sec-butyl acetate 20.61
    tert-butyl acetate 20.76
    decalin 1.54
    glycerin 41.57
    diglyme 106.62
    acrylic acid 49.44
    isopropyl myristate 8.16
    n-butyric acid 49.1
    acetyl acetate 31.86
    di(2-ethylhexyl) phthalate 16.94
    ethyl propionate 27.95
    nitromethane 129.55
    1,2-diethoxyethane 32.47
    benzonitrile 37.32
    trioctyl phosphate 11.0
    1-bromopropane 22.71
    gamma-valerolactone 166.21
    n-decanol 6.43
    triethyl phosphate 25.1
    4-methyl-2-pentanol 8.21
    propionitrile 22.98
    vinylene carbonate 95.77
    1,1,2-trichlorotrifluoroethane 176.6
    DMS 40.31
    cumene 7.17
    2-octanol 6.39
    2-hexanone 22.57
    octyl acetate 11.93
    limonene 11.41
    1,2-dimethoxyethane 81.31
    ethyl orthosilicate 23.25
    tributyl phosphate 13.89
    diacetone alcohol 33.35
    N,N-dimethylaniline 20.27
    acrylonitrile 38.55
    aniline 32.89
    1,3-propanediol 40.05
    bromobenzene 26.43
    dibromomethane 73.97
    1,1,2,2-tetrachloroethane 137.29
    2-methyl-cyclohexyl acetate 31.75
    tetrabutyl urea 18.58
    diisobutyl methanol 7.86
    2-phenylethanol 39.05
    styrene 7.97
    dioctyl adipate 18.39
    dimethyl sulfate 80.33
    ethyl butyrate 29.92
    methyl lactate 39.82
    butyl lactate 25.84
    diethyl carbonate 29.49
    propanediol butyl ether 25.3
    triethyl orthoformate 26.03
    p-tert-butyltoluene 8.27
    methyl 4-tert-butylbenzoate 33.1
    morpholine 90.14
    tert-butylamine 6.24
    n-dodecanol 5.06
    dimethoxymethane 73.05
    ethylene carbonate 72.18
    cyrene 56.08
    2-ethoxyethyl acetate 48.12
    2-ethylhexyl acetate 31.78
    1,2,4-trichlorobenzene 50.93
    4-methylpyridine 53.86
    dibutyl ether 8.35
    2,6-dimethyl-4-heptanol 7.86
    DEF 62.61
    dimethyl isosorbide 74.55
    tetrachloroethylene 105.43
    eugenol 42.18
    triacetin 33.7
    span 80 27.39
    1,4-butanediol 19.56
    1,1-dichloroethane 41.73
    2-methyl-1-pentanol 18.89
    methyl formate 69.4
    2-methyl-1-butanol 18.1
    n-decane 0.83
    butyronitrile 22.66
    3,7-dimethyl-1-octanol 8.81
    1-chlorooctane 4.39
    1-chlorotetradecane 2.25
    n-nonane 0.68
    undecane 0.69
    tert-butylcyclohexane 1.3
    cyclooctane 0.63
    cyclopentanol 26.5
    tetrahydropyran 34.99
    tert-amyl methyl ether 12.16
    2,5,8-trioxanonane 68.17
    1-hexene 4.01
    2-isopropoxyethanol 43.0
    2,2,2-trifluoroethanol 53.29
    methyl butyrate 38.5

    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