Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C4H5NOS.ClH |
| Molecular Weight | 151.615 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1SC=CC1=O
InChI
InChIKey=SJXPQSRCFCPWQQ-UHFFFAOYSA-N
InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.154 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
2-Methyl-4-isothiazolin-3-one hydrochloride is an isothiazolinone based biocide and preservative used in personal care products. 2-Methyl-4-isothiazolin-3-one is also used for controlling microbial growth in water-containing solution. It is used to study the effects of tyrosine phosphorylation on focal adhesion kinase (FAK) activity in the development of neural axons and dendrites. 2-Methyl-4-isothiazolin-3-one hydrochloride (Methylisothiazolinone hydrochloride) is a common preservative used in industrial products, owing to its strong biocide effect. Contact allergy to Methylisothiazolinone hydrochloride has been reported in different occupations, including mechanics, hairdressers and healthcare workers.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Involvement of oxidative stress in apoptosis induced by a mixture of isothiazolinones in normal human keratinocytes. | 2003 Aug |
|
| Methylisothiazolinones elicit increased production of both T helper (Th)1- and Th2-like cytokines by peripheral blood mononuclear cells from contact allergic individuals. | 2003 Dec |
|
| Patch test sensitization to methylchloroisothiazolinone + methylisothiazolinone and 4,4'-diaminodiphenylmethane. | 2003 Jan |
|
| Studies of chemical selectivity of hapten, reactivity, and skin sensitization potency. 3. Synthesis and studies on the reactivity toward model nucleophiles of the 13C-labeled skin sensitizers, 5-chloro-2-methylisothiazol-3-one (MCI) and 2-methylisothiazol-3-one (MI). | 2003 May |
|
| Contact sensitization to 5-chloro-2-methyl-4-isothiazolin-3-one and 2-methyl-4-isothiazolin-3-one in children. | 2003 Oct |
|
| Co-existing sensitivity to metronidazole and isothiazolinone. | 2003 Sep |
|
| [Allergy to cosmetics. II. Preservatives]. | 2004 |
|
| From experiment to theory: molecular orbital parameters to interpret the skin sensitization potential of 5-chloro-2-methylisothiazol-3-one and 2-methylisothiazol-3-one. | 2005 Feb |
|
| GSH depletion, protein S-glutathionylation and mitochondrial transmembrane potential hyperpolarization are early events in initiation of cell death induced by a mixture of isothiazolinones in HL60 cells. | 2006 Feb |
|
| The impact of meteorological conditions on patch test results with 12 standard series allergens (fragrances, biocides, topical ingredients). | 2008 Apr |
|
| Structure-activity relationships for the impact of selected isothiazol-3-one biocides on glutathione metabolism and glutathione reductase of the human liver cell line Hep G2. | 2008 Apr 18 |
|
| Alkalization of wall paint prevents airborne contact dermatitis in patients with sensitization to isothiazolinones. | 2008 Aug |
|
| Disruption of FAK signaling: a side mechanism in cytotoxicity. | 2008 Mar 12 |
|
| Methylisothiazolinone, an emerging allergen in cosmetics? | 2010 Aug |
|
| Consumer exposure to biocides--identification of relevant sources and evaluation of possible health effects. | 2010 Feb 3 |
|
| Final report of the safety assessment of methylisothiazolinone. | 2010 Jul |
|
| Moist toilet paper: allergy to the nonhalogenated derivative methylisothiazolinone preservative alone. | 2010 Oct |
|
| Prevalence and cause of methylisothiazolinone contact allergy. | 2010 Sep |
|
| Methylchloroisothiazolinone and/or methylisothiazolinone in cosmetic products-A market survey. | 2019 Feb |
|
| Contact allergy to methylchloroisothiazolinone/methylisothiazolinone in north-eastern Italy: a temporal trend from 1996 to 2016. | 2019 May |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:06:14 GMT 2023
by
admin
on
Sat Dec 16 10:06:14 GMT 2023
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| Record UNII |
3G9PNZ5P41
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| Record Status |
Validated (UNII)
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| Record Version |
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admin on Sat Dec 16 10:06:14 GMT 2023 , Edited by admin on Sat Dec 16 10:06:14 GMT 2023
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