2-Methyl-4-isothiazoline-3-one
Properties
- Molecular formula
- C4H5NOS
- Molar mass
- 115.15 g/mol
- Exact mass
- 115.0092 Da
- Density
- 1.35 g/mL (at 25 °C)
- Melting point
- 50–51 °C
- Boiling point
- 85 °C (at 1 Torr)
- logP
- 0.45Crippen estimate
- Polar surface area
- 22.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 613-326-00-9), via PubChem.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
2682-20-4SMILES
Cn1sccc1=OInChIKey
BEGLCMHJXHIJLR-UHFFFAOYSA-NInChI
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
48 names · show all
- N-Methylisothiazolone
- MIT
- Methylisothiazolinone
- Kordek 50
- Neolone
- Neolone M 50
- Neolone M 10
- Kordek 50C
- 2-Methyl-2H-isothiazol-3-one
- ProClin 950
- Kordek MLX
- Neolone 950
- Neolone PE
- Zonen MT
- KB 838
- Neolone CapG
- Optiphen MIT
- SPX
- ZONEN-MT 10
- Kordek 573F
- Microcare MT
- 2-Methyl-4-isothiazoline-3-ketone
- MIT (biocide)
- ProClin 5000
- MT 10
- Bestcide 600
- 2-Methyl-3(2H)-isothiazolinone
- MIT 950
- 2-Methyl-2H-isothiazolin-3-one
- Acticide M 10
- Acticide M 20
- Kordek LX 5000
- MIT 10
- M 20
- S 1206
- 2-Methyl-1,2-thiazol-3(2H)-one
- 2-Methyl-2,3-dihydro-1,2-thiazol-3-one
- 2-Methyl-1,2-thiazol-3-one
- Isocil MI 10
- Lonza MI 10
- LA-S 1
- 3(2H)-Isothiazolone, 2-methyl-
- 4-Isothiazolin-3-one, 2-methyl-
- 2-Methyl-3(2H)-isothiazolone
- 2-Methyl-3-isothiazolone
- 2-Methyl-4-isothiazolin-3-one
- N-Methylisothiazolin-3-one
- Kathon CG 243
Work with 2-Methyl-4-isothiazoline-3-one
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Kathon55965-84-965 % similar
2-n-Octyl-4-isothiazolin-3-one26530-20-140 % similar
Methylchloroisothiazolinone26172-55-439 % similar
1-Methyl-2(1H)-pyridinone694-85-933 % similar
2-Methyl-1,2-benzothiazol-3(2H)-one2527-66-432 % similar
1,3-Dimethyluracil874-14-630 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.