Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc

C30H44O6Zn

bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc

CAS42405-40-3
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
42405-40-3
EC Number
403-360-0
UN Number
1325
Index Number
030-007-00-4
PubChem CID
4255607

Physical-chemical properties

Molecular Formula
C30H44O6Zn
Molar Mass
566.00 g/mol
IUPAC Name
bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc

Chemical Identifiers

InChI
InChI=1S/2C15H22O3.Zn/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);
InChI Key
UZMHWULPQWNCOB-UHFFFAOYSA-N

Overview

bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc (CAS 42405-40-3) is an organometallic zinc complex featuring sterically hindered phenolic groups with antioxidant properties. This zinc-based organometallic compound represents a specialized chemical intermediate characterized by its unique molecular structure containing two 3,5-ditert-butyl-2-hydroxybenzoic acid ligands coordinated to a central zinc atom. With a molecular formula of C30H44O6Zn and molecular weight of 566 g/mol, this compound combines the beneficial properties of zinc coordination chemistry with the antioxidant capabilities inherent in substituted phenolic structures. The presence of bulky tert-butyl substituents on the aromatic rings provides significant steric protection, enhancing the compound's stability under various processing conditions. The zinc center offers unique catalytic and coordination properties that distinguish this material from related organometallic complexes. Unlike simpler compounds such as 4-nitrosophenol, this zinc complex exhibits enhanced thermal stability and controlled reactivity profiles due to its sophisticated ligand architecture. From a safety perspective, this substance requires careful handling as it carries multiple hazard classifications including flammable solid (Flam. Sol. 1), acute toxicity (Acute Tox. 4), and environmental hazards (Aquatic Acute 1, Aquatic Chronic 1). The danger signal word and associated GHS pictograms (GHS02, GHS07, GHS09) indicate the need for appropriate personal protective equipment and containment measures during handling and storage. Primary industrial applications include use as a specialized catalyst in polymerization reactions, as a stabilizer in polymer formulations, and as an intermediate in the synthesis of advanced materials requiring zinc coordination chemistry. The compound finds particular utility in applications demanding both antioxidant properties and controlled metal center reactivity. OYSI maintains reliable supply chains for bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc, supporting European industrial customers with technical-grade material and comprehensive documentation.

Safety & Classification

Danger
Classification:

Flam. Sol. 1; Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H228

Flammable solid.

H302

Harmful if swallowed.

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

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number1325
ADR Class4.1
Packing GroupII
Tunnel CodeE
Proper Shipping NameZink-bis(3,5-di-tert-butyl-2-hydroxybenzoat)
Marine PollutantNo

Frequently Asked Questions

What is bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is an organometallic compound with CAS number 42405-40-3 and molecular formula C30H44O6Zn. This zinc-based chemical has a molecular weight of 566 g/mol and belongs to the class of metal carboxylates. It is classified as a flammable solid with acute toxicity and aquatic toxicity properties, requiring careful handling and storage procedures.

What are the physicochemical properties of bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is a solid compound at room temperature with a molecular weight of 566 g/mol. As an organometallic zinc compound, it typically appears as a powder or crystalline material. The presence of tert-butyl groups suggests limited water solubility but potential solubility in organic solvents. Its flammable nature indicates it should be kept away from ignition sources.

What is bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc used for?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is primarily used as a stabilizer and additive in polymer and plastic applications. Its zinc-carboxylate structure makes it effective as a heat stabilizer, particularly in PVC processing and other thermoplastic applications. The compound may also serve as a catalyst or co-catalyst in polymerization reactions and as an antioxidant in various industrial formulations.

How to handle bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc safely?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc requires careful handling due to its flammable and toxic properties. Use appropriate personal protective equipment including safety goggles, gloves, and respiratory protection. Work in well-ventilated areas away from ignition sources, sparks, and open flames. Avoid dust formation and ensure grounding of equipment. Handle only with non-sparking tools and maintain strict hygiene practices to prevent ingestion or inhalation.

How to store bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc correctly?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc must be stored in a cool, dry place away from heat sources, sparks, and open flames. Keep containers tightly closed in a well-ventilated area, separated from incompatible materials such as strong oxidizers. Store in original packaging and ensure proper labeling. Implement appropriate fire prevention measures and maintain storage temperatures below recommended limits to prevent degradation or hazardous reactions.

What to do in case of contact with bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc?

Immediate action is required upon contact with bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention immediately. Always consult a physician if symptoms persist.

How to dispose of bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc appropriately?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc must be disposed of according to local and national environmental regulations as hazardous waste. Do not discharge into drains, soil, or water bodies due to its aquatic toxicity. Contact licensed waste disposal companies for proper treatment and disposal. Contaminated packaging should also be treated as hazardous waste. Follow all applicable waste classification codes and disposal procedures.

How to transport bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is classified under ADR Class 4.1 (Flammable Solids), Packing Group II. Transport requires appropriate dangerous goods packaging, labeling, and documentation. Vehicles must carry proper placarding and emergency response information. Drivers need ADR certification for dangerous goods transport. Ensure packages are properly secured, protected from ignition sources, and comply with all applicable transport regulations for flammable solids.

Is bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc subject to specific regulations?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is subject to REACH regulation requiring registration for import/manufacture above one tonne annually. It falls under CLP classification as Flam. Sol. 1, Acute Tox. 4, and Aquatic toxicity categories, requiring appropriate labeling with GHS02, GHS07, and GHS09 pictograms. The substance is not currently listed as SVHC but must comply with standard chemical safety and environmental protection requirements.

Where to buy bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc in Europe?

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, proper documentation, and technical support throughout Europe. As an established chemical distributor, OYSI ensures quality standards, appropriate packaging, and reliable supply chains for industrial customers requiring this specialized organometallic compound for their applications.

Data Sources

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