EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

benzisothiazolinone
1,2-benzisothiazol-3(2H)-one

Sponsors

Name:1,2-benzothiazol-3-one
CAS Number: 2634-33-5Picture of molecule3D/inchi
Other:101964-01-6
ECHA EINECS - REACH Pre-Reg:220-120-9
FDA UNII:HRA0F1A4R3
Nikkaji Web:J7.640F
MDL:MFCD00127753
XlogP3-AA:1.30 (est)
Molecular Weight:151.18805000
Formula:C7 H5 N O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:antimicrobial agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:1,2-benzisothiazol-3(2H)-one
FDA Mainterm: 1,2–Benzisothiazolin–3–one
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
 
Physical Properties:
Appearance:white powder (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 154.00 to 158.00 °C. @ 0.00 mm Hg
Boiling Point: 204.00 to 205.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.183000 mm/Hg @ 25.00 °C. (est)
Flash Point: 172.00 °F. TCC ( 77.50 °C. ) (est)
logP (o/w): 1.953 (est)
Soluble in:
 water, 2.143e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antimicrobial agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,2-Benzisothiazol-3(2H)-one 95%
Carbosynth
For experimental / research use only.
Benzoisothiazol-3-one
Connect Chemicals
Benzisothiazolin-3-one (BIT)
Connect Chemicals
Conncide BIT 20
Dow Chemical
KORALONE™
Dow Chemical
ROCIMA™
Galaxy Surfactants North America
SURCIDE B20
Odor: characteristic
Use: SURCIDE B20 is a versatile, cost-effective, broad-spectrum preservative that is effective at low-use concentration. It is EPA-registered and is recommended for use in household, and industrial and institutional (I & I) aqueous type products such as laundry detergents, all-purpose cleaners, fabric softeners, heavy-duty degreasers, floor finishes, window cleaners, and all other products of this type.
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,2-Benzisothiazol-3(2H)-one 97%
TCI AMERICA
For experimental / research use only.
1,2-Benzisothiazol-3(2H)-one [for Biochemical Research] >98.0%(GC)
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 1020 mg/kg
Pharmacological Research Communications. Vol. 3, Pg. 385, 1971.

oral-mouse LD50 1150 mg/kg
Pharmacological Research Communications. Vol. 3, Pg. 385, 1971.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: antimicrobial agents
Recommendation for benzisothiazolinone usage levels up to:
 not for fragrance use.
 
Recommendation for benzisothiazolinone flavor usage levels up to:
 not for flavor use.
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to a 16th list of substances for food contact materials
View page or View pdf

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on the presence of 1, 2-Benzisothiazolin-3-one as an impurity in saccharin use as a food additive
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):2634-33-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17520
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 3077
WGK Germany:2
1,2-benzothiazol-3-one
Chemidplus:0002634335
RTECS:DE4620000 for cas# 2634-33-5
 
References:
 1,2-benzothiazol-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2634-33-5
Pubchem (cid):17520
Pubchem (sid):134982419
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB34413
FooDB:FDB012808
Export Tariff Code:2934.20.8000
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 antimicrobial agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,2-benzisothiazol-3-one
1,2-benzisothiazol-3(2H)-one
1,2-benzisothiazolin-3-one
 benzo[d]isothiazol-3(2H)-one
1,2-benzothiazol-3-one
1,2-benzothiazol-3(2H)-one
 koralone
 proxan
 proxel PL
 rocima
 surcide B20
 

Articles:

PubMed:Methylisothiazolinone and benzisothiazolinone are widely used in paint: a multicentre study of paints from five European countries.
PubMed:Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase.
PubMed:Amino acid-derived 1,2-benzisothiazolinone derivatives as novel small-molecule antifungal inhibitors: identification of potential genetic targets.
PubMed:Concomitant reactivity to methylisothiazolinone, benzisothiazolinone, and octylisothiazolinone. International Network of Departments of Dermatology data, 2009-2013.
PubMed:Benzisothiazolinone as a useful template for the design of new monoacylglycerol lipase inhibitors: investigation of the target residues and comparison with octhilinone.
PubMed:Occupations at risk of developing contact allergy to isothiazolinones in Danish contact dermatitis patients: results from a Danish multicentre study (2009-2012).
PubMed:Isothiazolinones in commercial products at Danish workplaces.
PubMed:Emission of isothiazolinones from water-based paints.
PubMed:Methylisothiazolinone contact allergy--growing epidemic.
PubMed:Cytotoxic effects of air freshener biocides in lung epithelial cells.
PubMed:Key role for efflux in the preservative susceptibility and adaptive resistance of Burkholderia cepacia complex bacteria.
PubMed:1,2-benzisothiazolin-3-one in disposable polyvinyl chloride gloves for medical use.
PubMed:Inhibition of human leucocyte elastase by fatty acyl-benzisothiazolinone, 1,1-dioxide conjugates (fatty acyl-saccharins).
PubMed:The dramatic increase in the rate of methylisothiazolinone contact allergy in Belgium: a multicentre study.
PubMed:Antimicrobial allergy from polyvinyl chloride gloves.
PubMed:1,2-benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors.
PubMed:Methylisothiazolinone in selected consumer products in Belgium: Adding fuel to the fire?
PubMed:Synthesis of some new benzisothiazolone and benzenesulfonamide derivatives of biological interest starting from saccharin sodium.
PubMed:Ebsulfur is a benzisothiazolone cytocidal inhibitor targeting the trypanothione reductase of Trypanosoma brucei.
PubMed:Chemical structure and teratogenic properties. II. Synthesis and teratogenic activity in rabbits of some derivatives of phthalmide, isoindoline-1-one, 1,2-benzisothiazoline-3-one-1,1-dioxide and 4(3H)-quinazolinone.
PubMed:No cross-sensitization between MCI/MI, benzisothiazolinone and octylisothiazolinone.
PubMed:[Aminomethyl derivatives of (benzisothiazolin-3-one-2-yl)acetic acid amides and 2-(1,2-benzisothiazoline-3-one-2-yl)propionic acid amides].
PubMed:Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors.
PubMed:Estimation of the safe use concentrations of the preservative 1,2-benzisothiazolin-3-one (BIT) in consumer cleaning products and sunscreens.
PubMed:Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen.
PubMed:Systemic allergic dermatitis following airborne exposure to 1,2-benzisothiazolin-3-one.
PubMed:Occupational dermatoses caused by contact with metalworking fluids in the region of central slovakia from 2000 to 2012.
PubMed:Antifungal activity of a series of 1,2-benzisothiazol-3(2H)-one derivatives.
PubMed:Benzisothiazolones as modulators of macrophage migration inhibitory factor.
PubMed:Skin sensitization risk assessment: a comparative evaluation of 3 isothiazolinone biocides.
PubMed:Inhibitors of the salicylate synthase (MbtI) from Mycobacterium tuberculosis discovered by high-throughput screening.
PubMed:Determination of isothiazolinone preservatives in cosmetics and household products by matrix solid-phase dispersion followed by high-performance liquid chromatography-tandem mass spectrometry.
PubMed:Determination of biocides in different environmental matrices by use of ultra-high-performance liquid chromatography-tandem mass spectrometry.
PubMed:Determination of biocides and pesticides by on-line solid phase extraction coupled with mass spectrometry and their behaviour in wastewater and surface water.
PubMed:Tandem 1,5-hydride shift/1,5-S,N-cyclization with ethylene extrusion of 1,3-oxathiolane-substituted ketenimines and carbodiimides. An experimental and computational study.
PubMed:Kinetic migration of isothiazolinone biocides from paper packaging to Tenax and Porapak.
PubMed:Allergic contact dermatitis to 1,2-benzisothiazolin-3-one in the water softener manufacturing industry.
PubMed:One-pot, three-component, domino Heck-aza-Michael approach to libraries of functionalized 1,1-dioxido-1,2-benzisothiazoline-3-acetic acids.
PubMed:Comparison of in vitro and ex vivo antiplatelet effects of 1,2-benzisothiazolin-3-one and its 2-amino derivative.
PubMed:Analysis of isothiazolinone biocides in paper for food packaging by ultra-high-performance liquid chromatography-tandem mass spectrometry.
PubMed:Lipophilicity of a series of 1,2-benzisothiazol-3(2H)-ones determined by reversed-phase thin-layer chromatography.
PubMed:A colorimetric assay for high-throughput screening of inhibitors of herpes simplex virus type 1 alkaline nuclease.
PubMed:Occupational asthma and rhinitis caused by 1,2-benzisothiazolin-3-one in a chemical worker.
PubMed:1,2-Benzisothiazolin-3-one (Proxel): irritant or allergen? A clinical study and literature review.
PubMed:Allergic contact dermatitis to 1,2-benzisothiazolin-3-one in the carpet industry.
PubMed:In vitro anti-Mycobacterium avium activity of N-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one and -thione carbamic esters.
PubMed:Phosphonates and phosphinates: novel leaving groups for benzisothiazolone inhibitors of human leukocyte elastase.
PubMed:Orally bioavailable benzisothiazolone inhibitors of human leukocyte elastase.
PubMed:Bioluminescent strains of E. coli for the assay of biocides.
PubMed:Missed opportunities in clinical dermatology--the case of 1,2-benzisothiazolin-3-one.
PubMed:1,2-benzisothiazolin-3-one.
PubMed:Allergic contact dermatitis from the preservative 1,2-benzisothiazolin-3-one (1,2-BIT; Proxel): a case report, its prevalence in those occupationally at risk and in the general dermatological population, and its relationship to allergy to its analogue Kathon CG.
PubMed:Assessment of the relative skin sensitizing potency of 3 biocides using the murine local lymph node assay.
PubMed:Chemical reactivity of some isothiazolone biocides.
PubMed:Inhibitors of blood platelet aggregation. Effects of some 1,2-benzisothiazol-3-ones on platelet responsiveness to adenosine diphosphate and collagen.
PubMed:Phototoxicity of a weedkiller: a correction.
PubMed:Allergic contact dermatitis due to 1,2-benzisothiazolin-3-one in gum arabic.
PubMed:The bactericidal mats in the pediatric intensive care unit.
PubMed:Contact dermatitis from benzisothiazolone in cutting oils.
PubMed:Occupational dermatitis due to 1,2-benzisothiazolin-3-one in the pottery industry.
PubMed:Contact dermatitis due to benzisothiazolone in a works analytical team.
PubMed:Occupational contact dermatitis to 1,2-benzisothiazolin-3-one and 5-chloro-2-methylisothiazolin-3-one/2-methylisothiazolin-3-one in paint manufacturers.
PubMed:Chemical analysis and genotoxicological safety assessment of paper and paperboard used for food packaging.
PubMed:Occupational allergic contact dermatitis caused by 1,2-benzisothiazolin-3-one in a varnish maker, followed by sensitization to benzalkonium chloride in Oilatum Plus bath additive.
PubMed:Re: Marchetti MG, Finzi G, Cugini P, Manfrini M, Salvatorelli G. Hospital use of decontaminating mats. J Hosp Infect 2003;55:68-72.
PubMed:Occupational allergic contact dermatitis from 1,2-benzisothiazolin-3-one without cross-sensitization to other isothiazolinones.
PubMed:ppGpp accumulation in Pseudomonas aeruginosa and Pseudomonas fluorescens subjected to nutrient limitation and biocide exposure.
PubMed:Occupational hand dermatitis due to 1,2-benzisothiazolin-3-one in the water-softener manufacturing industry.
PubMed:Solid-phase synthesis of benzisothiazolones as serine protease inhibitors.
PubMed:Pulpitis of the fingers from a shoe glue containing 1,2-benzisothiazolin-3-one (BIT).
PubMed:Biophysical characterization of zinc ejection from HIV nucleocapsid protein by anti-HIV 2,2'-dithiobis[benzamides] and benzisothiazolones.
PubMed:Skin symptoms and contact allergy in woodwork teachers.
PubMed:2,6-Disubstituted aryl carboxylic acids, leaving groups "par excellence" for benzisothiazolone inhibitors of human leukocyte elastase.
PubMed:Allergic contact dermatitis due to 1,2-benzisothiazolin-3-one in paint manufacture.
PubMed:Occupational contact allergy to 1,2-benzisothiazolin-3-one in the manufacture of air fresheners.
PubMed:Relationship between Legionella pneumophila and Acanthamoeba polyphaga: physiological status and susceptibility to chemical inactivation.
PubMed:Another isothiazolinone source.
PubMed:Growth inhibitory and biocidal activity of some isothiazolone biocides.
PubMed:Biocide patch tests.
PubMed:[Allergic contact eczema caused by isothiazolin-3-one derivatives].
PubMed:Influence of sedatives on stress-induced trans-synaptic induction of tyrosine hydroxylase.
PubMed:Antagonism by supidimide of haloperidol-induced augmentation of [3H]-spiperone binding in rat striatum.
PubMed:Influence of supidimide on brain neurotransmitter systems of rats and mice.
PubMed:Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry.
PubMed:Contact urticaria from carboxymethylcellulose in white chalk.
PubMed:Preservatives in registered chemical products.
PubMed:[Contact allergies to recently introduced preservatives].
PubMed:Anti-inflammatory effect of a selective inhibitor of elastase, cathepsin G and chymotrypsin on carrageenin-induced inflammation in rats.
PubMed:Analysis of allergens in metalworking fluids.
PubMed:Patch test results with the metalworking fluid series of the German Contact Dermatitis Research Group (DKG).
PubMed:Skin disease and contact sensitivity in house painters using water-based paints, glues and putties.
 
Notes:
preservative in plastic emulsion which causes contact dermatitis. Industrial biocide. Present in can-end cements
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