2-butyl-1,2-benzothiazol-3-one

C11H13NOS

CAS4299-07-4
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
4299-07-4
EC Number
420-590-7
UN Number
3265
Index Number
606-079-00-3
PubChem CID
9837171

Physical-chemical properties

Molecular Formula
C11H13NOS
Molar Mass
207.29 g/mol
IUPAC Name
2-butyl-1,2-benzothiazol-3-one

Chemical Identifiers

InChI
InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
InChI Key
LUYIHWDYPAZCNN-UHFFFAOYSA-N

Overview

2-butyl-1,2-benzothiazol-3-one (CAS 4299-07-4) is a heterocyclic organic compound with antimicrobial and preservative properties used in industrial applications. This benzothiazolone derivative represents an important class of biocides widely utilized across various industrial sectors. With its molecular formula C11H13NOS and molecular weight of 207.29 g/mol, 2-butyl-1,2-benzothiazol-3-one exhibits potent antimicrobial activity against bacteria, fungi, and algae, making it particularly valuable as a preservative and biocide in aqueous systems. The compound's chemical structure features a benzothiazole ring system with a butyl substituent at the nitrogen position, which contributes to its lipophilic properties and enhanced efficacy. However, this substance requires careful handling due to its classification as a skin corrosive (Skin Corr. 1B) and skin sensitizer (Skin Sens. 1), necessitating appropriate personal protective equipment during use. The GHS pictograms GHS05, GHS07, and GHS09 indicate its corrosive nature, health hazards, and environmental concerns, particularly its acute and chronic aquatic toxicity. Primary industrial applications include use as a preservative in metalworking fluids, cooling water systems, and adhesives where microbial control is essential. The compound is also employed in paint and coating formulations to prevent microbial degradation during storage and application. Similar to other antimicrobial compounds like 1-dodecylpyrrolidin-2-one, it provides broad-spectrum protection in various industrial formulations. Due to its ADR Class 8 classification as a corrosive substance, proper transportation and storage protocols must be observed. OYSI maintains reliable supply chains for 2-butyl-1,2-benzothiazol-3-one to support European industrial customers requiring consistent biocide solutions.

Safety & Classification

Danger
Classification:

Skin Corr. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3265
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name2-Butyl-benzo[d]isothiazol-3-on
Marine PollutantNo

Frequently Asked Questions

What is 2-butyl-1,2-benzothiazol-3-one?

2-butyl-1,2-benzothiazol-3-one is an organic heterocyclic compound with the molecular formula C11H13NOS and CAS number 4299-07-4. This benzothiazole derivative features a butyl side chain and has a molecular weight of 207.29 g/mol. It is classified as a hazardous substance with corrosive and sensitizing properties, making it important for industrial applications where antimicrobial or preservative effects are required.

What are the physicochemical properties of 2-butyl-1,2-benzothiazol-3-one?

2-butyl-1,2-benzothiazol-3-one is a heterocyclic compound with a molecular mass of 207.29 g/mol and formula C11H13NOS. As a benzothiazole derivative, it typically appears as a solid at room temperature with characteristic chemical stability. The compound contains sulfur and nitrogen heteroatoms within its ring structure, contributing to its unique reactivity profile and making it suitable for specialized chemical applications.

What is 2-butyl-1,2-benzothiazol-3-one used for?

2-butyl-1,2-benzothiazol-3-one is primarily used as a biocide and preservative in industrial formulations. Its antimicrobial properties make it valuable in coatings, adhesives, sealants, and other materials where microbial growth prevention is essential. The compound is also utilized in specialty chemical synthesis and as an intermediate in the production of other benzothiazole derivatives for various industrial applications.

How to handle 2-butyl-1,2-benzothiazol-3-one safely?

2-butyl-1,2-benzothiazol-3-one requires careful handling due to its Skin Corr. 1B and Skin Sens. 1 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or use local exhaust ventilation. Avoid inhalation and ensure emergency eyewash and shower facilities are readily available. Training on proper handling procedures is mandatory before use.

How to store 2-butyl-1,2-benzothiazol-3-one correctly?

2-butyl-1,2-benzothiazol-3-one should be stored in tightly sealed, labeled containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Given its corrosive nature, use corrosion-resistant storage containers and ensure secondary containment. Store separately from acids, bases, and oxidizing agents. Maintain temperature control and implement appropriate spill containment measures in the storage area.

What to do in case of contact with 2-butyl-1,2-benzothiazol-3-one?

Immediate action is required due to the corrosive nature of 2-butyl-1,2-benzothiazol-3-one. For skin contact, immediately remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air. Remove contaminated clothing and seek immediate medical attention for all exposure incidents.

How to dispose of 2-butyl-1,2-benzothiazol-3-one appropriately?

2-butyl-1,2-benzothiazol-3-one must be disposed of as hazardous waste in accordance with local, national, and EU regulations. Due to its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release. Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste and disposed of accordingly.

How to transport 2-butyl-1,2-benzothiazol-3-one?

2-butyl-1,2-benzothiazol-3-one is classified as ADR Class 8 (corrosive substances), Packing Group II, requiring specialized transport procedures. Use appropriate UN-specification packaging designed for corrosive materials. Vehicles must carry proper placarding and documentation. Drivers need ADR certification for dangerous goods transport. Ensure packages are properly labeled, secured, and segregated from incompatible materials during transport across European borders.

Is 2-butyl-1,2-benzothiazol-3-one subject to specific regulations?

2-butyl-1,2-benzothiazol-3-one is regulated under EU REACH and CLP regulations, requiring registration, classification, and labeling compliance. The substance is not currently listed as SVHC (Substance of Very High Concern). However, its corrosive and sensitizing properties require strict adherence to occupational safety regulations. Users must implement appropriate risk management measures and may need to register uses under REACH depending on quantities handled.

Where to buy 2-butyl-1,2-benzothiazol-3-one in Europe?

2-butyl-1,2-benzothiazol-3-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, proper documentation, and technical support. As an established chemical distributor, OYSI ensures quality products meeting European standards with appropriate safety data sheets and certifications. Contact OYSI directly for availability, specifications, and pricing information for your specific application requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.