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 a zinc-based organometallic compound with antioxidant and UV stabilizing properties. This zinc complex represents an important class of metal carboxylate compounds widely used in polymer chemistry and materials science. The molecule consists of zinc coordinated with two units of 3,5-ditert-butyl-2-hydroxybenzoic acid, creating a stable organometallic structure that combines the beneficial properties of both the metal center and the bulky, hindered phenolic ligands. The presence of tert-butyl groups provides steric protection and enhances thermal stability, while the hydroxyl groups contribute to the compound's antioxidant activity. The compound exhibits significant safety considerations, classified as a flammable solid (Class 4.1 ADR) with acute toxicity and environmental hazards. Its GHS classification includes pictograms for fire hazard, health hazard, and environmental danger, requiring careful handling protocols and appropriate storage conditions. Unlike simpler compounds such as 4-nitrosophenol, this zinc complex offers enhanced stability and controlled release properties in polymer applications. Primary industrial applications include use as a heat stabilizer in polyvinyl chloride (PVC) processing, where it prevents degradation during high-temperature manufacturing. The compound also serves as an antioxidant additive in various polymer formulations and as a UV stabilizer in outdoor applications. Additional uses encompass catalyst systems and specialized coating formulations where metal-organic compounds provide superior performance compared to purely organic alternatives. OYSI maintains reliable supply chains for bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc, supporting European manufacturers with consistent quality and technical expertise in organometallic chemistry applications.

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 zinc compound with the molecular formula C30H44O6Zn and CAS number 42405-40-3. This chemical substance has a molecular weight of 566 g/mol and consists of zinc coordinated with two molecules of 3,5-ditert-butyl-2-hydroxybenzoic acid. It is classified as a flammable solid with acute toxicity and aquatic hazard 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. The presence of bulky tert-butyl groups likely makes it poorly soluble in water but potentially soluble in organic solvents. Its specific physical properties such as melting point, color, and exact solubility parameters depend on the manufacturing process and purity grade.

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 metal-based stabilizer and catalyst in various industrial applications. Its structure suggests potential use in polymer stabilization, particularly for preventing oxidative degradation. The compound may also serve as an intermediate in organic synthesis or as a specialized catalyst in chemical manufacturing processes requiring zinc coordination compounds with sterically hindered ligands.

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 solid classification and acute toxicity. Essential personal protective equipment includes safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas away from ignition sources, as it poses fire hazards. Avoid generating dust and ensure proper grounding when handling. Use appropriate respiratory protection if dust formation is possible during processing.

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 and ignition sources due to its flammable solid classification. Keep containers tightly closed and store in original packaging. Ensure adequate ventilation in storage areas and maintain separation from incompatible materials such as strong oxidizers. Storage areas should comply with local fire safety regulations for flammable solids.

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

Immediate first aid measures for bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc exposure include removing contaminated clothing and rinsing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air immediately. In case of ingestion, rinse mouth and do not induce vomiting. Seek medical attention promptly for all exposure routes, especially given the acute toxicity classification of this compound.

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 through licensed hazardous waste contractors due to its classification as flammable solid with aquatic toxicity. The compound cannot be disposed of in regular waste streams and requires specialized treatment. Follow local and EU waste regulations, including proper waste coding and documentation. Consider recovery or recycling options where available before disposal, and never discharge into water systems.

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) with packing group II, indicating moderate danger level. Transportation requires appropriate ADR-compliant packaging, labeling with GHS02, GHS07, and GHS09 pictograms, and proper shipping documentation. Vehicles must carry appropriate fire extinguishing equipment, and drivers need ADR training. Ensure packages are secured and protected from heat sources during transport.

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

Bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc is regulated under EU CLP regulation with classification as Flam. Sol. 1, Acute Tox. 4, and Aquatic hazard categories. It requires safety data sheets and appropriate labeling with danger signal word and specified pictograms. The compound is not currently listed as SVHC under REACH regulation, but standard REACH registration requirements may apply depending on tonnage and use patterns.

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 to industrial customers across Europe with appropriate documentation including safety data sheets and certificates of analysis. As a hazardous chemical requiring specialized handling and transport, it's essential to work with experienced distributors who understand the regulatory requirements and safety protocols.

Data Sources

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