7499-96-9

Basic information

• Product Name: Butylbenisothiazolene
• Synonyms: Butylbenisothiazolene;2-butyl-1,1-dioxo-1,2-benzothiazol-3-one
• CAS NO: 7499-96-9
• Molecular Formula: C₁₁H₁₃NO₃S
• Molecular Weight: 239.29082
• Mol File: 7499-96-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 39.5-40.2 °C
• Boiling Point: 392.6°Cat760mmHg
• Flash Point: 191.2°C
• Appearance: /
• Density: 1.305g/cm³
• Vapor Pressure: 2.26E-06mmHg at 25°C
• Refractive Index: 1.576
• PKA: -12.87±0.20(Predicted)
• CAS DataBase Reference: Butylbenisothiazolene(CAS DataBase Reference)
• NIST Chemistry Reference: Butylbenisothiazolene(7499-96-9)
• EPA Substance Registry System: Butylbenisothiazolene(7499-96-9)

Safety Data

• Hazardous Substances Data: 7499-96-9(Hazardous Substances Data)

Usage

General Description

Butylbenisothiazolene is a chemical compound that is commonly used as a preservative in various personal care products, such as lotions, shampoos, and cosmetics. It is known for its antimicrobial properties and ability to inhibit the growth of bacteria, fungi, and yeast, thereby extending the shelf life of these products. However, it has also been associated with potential skin sensitization and allergies in some individuals. As a result, its use in cosmetic products is regulated by various authorities, and it is often included in ingredient lists under its INCI name, "butylbenzisothiazolinone." The chemical has also been the subject of research and debate regarding its safety and potential health effects, and its use in consumer products continues to be monitored and evaluated.

InChI:InChI=1/C11H13NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7H,2-3,8H2,1H3

Upstream product

• 142-96-1 dibutyl ether 
• 59777-72-9 ethyl 2-(aminosulfonyl)benzoate 
• 81-07-2 saccharin 
• 71-36-3 butan-1-ol 
• 109-65-9 1-bromo-butane 
• 128-44-9 saccharin sodium salt 
• 109-69-3 n-Butyl chloride 
• 13947-20-1 N-(hydroxymethyl)saccharin 

Relevant articles and documents

N-Substituted and ring opened saccharin derivatives selectively inhibit transmembrane, tumor-associated carbonic anhydrases IX and XII

A series of N-substituted saccharins incorporating aryl, alkyl and alkynyl moieties, as well as some ring opened derivatives were prepared and investigated as inhibitors of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). The widespread cytosolic is

Regioselective alkylation of saccharin with alcohols under Mitsunobu conditions

The regioselective Mitsunobu alkylation of saccharin with various alcohols has been examined. The N/O-alkylation is dependent on the steric hindrance of the alcohols, that is, less sterically hindered alcohol preferentially afford N-alkylated saccharin an

Retro-ene Reaction I: Reaction of N-Hydroxymethylsaccharin with Benzoyl Chlorides and Alkyl Halides

N-Benzoylsaccharins, N-(saccharinylmethyl) benzoates and N-alkylsaccharins were synthesized from N-hydroxymethylsaccharin and the corresponding benzoyl chlorides or alkyl halides under different conditions.The reaction mechanisms are also discussed.