Methylisothiazolinone

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  • Identifiers

    CAS number
    2682-20-4

    Molecular formula
    C4H5NOS

    SMILES
    CN1C(=O)C=CS1

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Nutty 53.11%
    Roasted 47.4%
    Meaty 39.18%
    Burnt 36.84%
    Odorless 36.1%
    Sulfurous 35.91%
    Popcorn 28.64%
    Cooked 28.2%
    Coffee 27.51%
    Beefy 26.07%

     

    Flavor
    Nutty 47.0%
    Sulfur 38.16%
    Coffee 36.52%
    Bread 34.3%
    Almond 34.21%
    Cocoa 31.85%
    Popcorn 30.94%
    Chocolate 30.14%
    Musty 29.36%
    Bitter 28.88%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.38 (neutral)

    Molecular weight
    115.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 50-51 °C

    Boiling point

    • BP: 93 °C at 0.03 mm Hg

    Flash point

    • 56.09 ˚C est.

    Solubility expt.

    • Solubility in: acetonitrile 78.6; methanol 79.1; hexane 2.371; xylenol 15.65 (g/100 mL)

  • Synonyms

    • 2682-20-4
    • Methylisothiazolinone
    • 2-Methyl-4-isothiazolin-3-one
    • 2-Methyl-3(2H)-isothiazolone
    • 2-Methyl-4-isothiazoline-3-one
    • N-methylisothiazolone
    • 3(2H)-Isothiazolone, 2-methyl-
    • 2-methyl-3-isothiazolone
    • n-methylisothiazolin-3-one
    • Neolone 950
    • 2-methyl-1,2-thiazol-3(2H)-one
    • 229D0E1QFA
    • DTXSID2034259
    • 2-Methyl-4-isothiazoline-3-ketone
    • DTXCID0014259
    • CHEBI:53620
    • methyl-isothiazolinone
    • methylisothiazolidinone
    • RefChem:158243
    • 220-239-6
    • methylisothiazolone
    • 2-methylisothiazol-3(2h)-one
    • N-METHYL-3-OXODIHYDRO ISOTHIAZOLE
    • MFCD01742315
    • 2-METHYL-2H-ISOTHIAZOL-3-ONE
    • N-Methyl-3-oxodihydroisothiazole
    • MIT
    • Neolone
    • 2682-20-4 (free base)
    • Kordek 50
    • Kordek 50C
    • Caswell No. 572A
    • Kathon CG 243
    • Microcare MT
    • Kordek MLX
    • EINECS 220-239-6
    • MIT (biocide)
    • Acticide M 10
    • Acticide M 20
    • Bestcide 600
    • 2-methyl-1,2-thiazol-3-one
    • Kordek 573F
    • 2-methylisothiazol-3-one
    • 2-Methyl-4-isothiazolin-3-one - 50% aqueous solution
    • UNII-229D0E1QFA
    • 2-methyl-2,3-dihydro-1,2-thiazol-3-one
    • HSDB 8200
    • MIT 950
    • MT 10
    • KB 838
    • 2-Methyl-4-isothiazolin-3-one (MI)
    • 2-methyl-3-isothiozolone
    • 2-methyl-4-isothiazolinone
    • 2-methyl-isothiazol-3-one
    • SCHEMBL17863
    • Methylisothiazolinone free base
    • orb1306885
    • orb3025326
    • Methylisothiazolinone (Standard)
    • CHEMBL1620780
    • SCHEMBL20718809
    • METHYLISOTHIAZOLINONE [II]
    • METHYLISOTHIAZOLINONE [MI]
    • MSK2158
    • 2-Methyl-4-isothiazolin-3-one 100 microg/mL in Acetonitrile
    • 2-Methyl-3(2H)-isothiazolone #
    • HY-W010520R
    • METHYLISOTHIAZOLINONE [VANDF]
    • Tox21_303814
    • BBL104136
    • EBC-48037
    • METHYLISOTHIAZOLINONE [MART.]
    • STL557951
    • AKOS007930246
    • CS-W011236
    • FM16100
    • HY-W010520
    • 2-Methyl-4-isothiazolin-3-one, 95%
    • NCGC00357093-01
    • FM164967
    • CAS-2682-20-4
    • DB-005250
    • NS00003875
    • F21330
    • M-0600
    • EN300-1708622
    • 682M204
    • F221572
    • Q423870
    • 2-Methyl-4-isothiazolin-3-one, analytical standard
    • 2-Methyl-4-isothiazoline-3-one, 50% aqueous solution
    • Z3227502095
    • 2682-20-4

  • Applications

    Methylisothiazolinone (CAS 2682-20-4) is used as a preservative and antimicrobial agent across a range of formulations to control microbial growth. In cosmetics and personal care, it has been used to extend shelf life in products such as shampoos, cleansers, creams and wet wipes (often in combination with other isothiazolinones). In household cleaning products and detergents, it serves as a preservative/biocide to inhibit microbial deterioration of formulations. In industrial manufacturing, it is employed to preserve water-based polymer emulsions, paints and coatings, and adhesives against microbial contamination. It is also used in inks and printing formulations as a biocidal preservative. Additionally, MIT may be used in industrial process fluids such as cooling water systems and metalworking fluids to control microbial growth. The use and concentration of MIT are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.69
    methanol 355.98
    isopropanol 116.87
    water 206.5
    ethyl acetate 34.26
    n-propanol 117.05
    acetone 82.92
    n-butanol 103.3
    acetonitrile 91.98
    DMF 379.11
    toluene 29.65
    isobutanol 100.55
    1,4-dioxane 116.06
    methyl acetate 73.6
    THF 114.08
    2-butanone 72.48
    n-pentanol 65.14
    sec-butanol 105.34
    n-hexane 2.09
    ethylene glycol 91.69
    NMP 222.33
    cyclohexane 3.37
    DMSO 160.39
    n-butyl acetate 15.14
    n-octanol 26.02
    chloroform 155.83
    n-propyl acetate 19.07
    acetic acid 173.41
    dichloromethane 132.48
    cyclohexanone 76.86
    propylene glycol 78.33
    isopropyl acetate 23.7
    DMAc 352.63
    2-ethoxyethanol 149.62
    isopentanol 83.75
    n-heptane 2.58
    ethyl formate 61.62
    1,2-dichloroethane 56.92
    n-hexanol 32.88
    2-methoxyethanol 267.71
    isobutyl acetate 14.52
    tetrachloromethane 40.97
    n-pentyl acetate 24.01
    transcutol 169.64
    n-heptanol 32.66
    ethylbenzene 14.66
    MIBK 33.81
    2-propoxyethanol 71.7
    tert-butanol 112.68
    MTBE 53.9
    2-butoxyethanol 70.87
    propionic acid 91.74
    o-xylene 32.95
    formic acid 272.41
    diethyl ether 45.65
    m-xylene 23.11
    p-xylene 25.92
    chlorobenzene 42.16
    dimethyl carbonate 37.45
    n-octane 1.72
    formamide 454.91
    cyclopentanone 100.92
    2-pentanone 44.51
    anisole 56.19
    cyclopentyl methyl ether 46.92
    gamma-butyrolactone 116.05
    1-methoxy-2-propanol 152.42
    pyridine 121.26
    3-pentanone 36.27
    furfural 184.32
    n-dodecane 1.61
    diethylene glycol 78.54
    diisopropyl ether 11.4
    tert-amyl alcohol 107.58
    acetylacetone 48.28
    n-hexadecane 1.77
    acetophenone 62.18
    methyl propionate 46.93
    isopentyl acetate 18.24
    trichloroethylene 149.02
    n-nonanol 24.13
    cyclohexanol 63.07
    benzyl alcohol 71.47
    2-ethylhexanol 18.87
    isooctanol 27.59
    dipropyl ether 14.99
    1,2-dichlorobenzene 48.88
    ethyl lactate 23.9
    propylene carbonate 58.09
    n-methylformamide 249.28
    2-pentanol 61.55
    n-pentane 4.02
    1-propoxy-2-propanol 43.89
    1-methoxy-2-propyl acetate 28.51
    2-(2-methoxypropoxy) propanol 54.92
    mesitylene 14.03
    ε-caprolactone 68.99
    p-cymene 12.03
    epichlorohydrin 121.36
    1,1,1-trichloroethane 62.26
    2-aminoethanol 157.68
    morpholine-4-carbaldehyde 220.87
    sulfolane 118.15
    2,2,4-trimethylpentane 3.71
    2-methyltetrahydrofuran 78.34
    n-hexyl acetate 29.3
    isooctane 2.03
    2-(2-butoxyethoxy)ethanol 73.43
    sec-butyl acetate 16.0
    tert-butyl acetate 29.39
    decalin 2.82
    glycerin 124.27
    diglyme 140.07
    acrylic acid 112.84
    isopropyl myristate 13.06
    n-butyric acid 83.4
    acetyl acetate 26.9
    di(2-ethylhexyl) phthalate 21.44
    ethyl propionate 17.89
    nitromethane 268.81
    1,2-diethoxyethane 38.22
    benzonitrile 63.6
    trioctyl phosphate 13.5
    1-bromopropane 27.51
    gamma-valerolactone 170.74
    n-decanol 16.71
    triethyl phosphate 15.68
    4-methyl-2-pentanol 33.16
    propionitrile 59.35
    vinylene carbonate 68.79
    1,1,2-trichlorotrifluoroethane 157.59
    DMS 26.78
    cumene 14.48
    2-octanol 22.45
    2-hexanone 28.28
    octyl acetate 18.34
    limonene 14.96
    1,2-dimethoxyethane 136.06
    ethyl orthosilicate 15.92
    tributyl phosphate 13.69
    diacetone alcohol 65.85
    N,N-dimethylaniline 56.08
    acrylonitrile 92.69
    aniline 84.44
    1,3-propanediol 149.12
    bromobenzene 31.22
    dibromomethane 67.66
    1,1,2,2-tetrachloroethane 111.07
    2-methyl-cyclohexyl acetate 21.37
    tetrabutyl urea 21.55
    diisobutyl methanol 12.53
    2-phenylethanol 46.99
    styrene 18.61
    dioctyl adipate 20.7
    dimethyl sulfate 74.49
    ethyl butyrate 15.78
    methyl lactate 52.27
    butyl lactate 26.84
    diethyl carbonate 13.44
    propanediol butyl ether 58.75
    triethyl orthoformate 16.01
    p-tert-butyltoluene 11.79
    methyl 4-tert-butylbenzoate 52.32
    morpholine 150.19
    tert-butylamine 62.78
    n-dodecanol 12.36
    dimethoxymethane 130.63
    ethylene carbonate 47.42
    cyrene 71.39
    2-ethoxyethyl acetate 38.76
    2-ethylhexyl acetate 14.17
    1,2,4-trichlorobenzene 67.02
    4-methylpyridine 122.07
    dibutyl ether 15.6
    2,6-dimethyl-4-heptanol 12.53
    DEF 91.8
    dimethyl isosorbide 72.43
    tetrachloroethylene 102.44
    eugenol 62.14
    triacetin 38.7
    span 80 42.5
    1,4-butanediol 69.88
    1,1-dichloroethane 62.59
    2-methyl-1-pentanol 57.97
    methyl formate 148.5
    2-methyl-1-butanol 93.62
    n-decane 2.61
    butyronitrile 59.88
    3,7-dimethyl-1-octanol 22.88
    1-chlorooctane 10.68
    1-chlorotetradecane 4.63
    n-nonane 2.26
    undecane 1.98
    tert-butylcyclohexane 3.16
    cyclooctane 1.46
    cyclopentanol 75.56
    tetrahydropyran 58.75
    tert-amyl methyl ether 46.57
    2,5,8-trioxanonane 100.05
    1-hexene 9.02
    2-isopropoxyethanol 83.18
    2,2,2-trifluoroethanol 143.46
    methyl butyrate 30.62

    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