Description

tert-Butyl peroxybenzoate (CAS No. 614-45-9) is a high-purity organic peroxide widely used as a radical initiator in polymerization reactions. With the molecular formula C₁₁H₁₄O₃ and IUPAC name tert-butyl benzenecarboperoxoate, this compound is a clear, colorless to pale yellow liquid with a characteristic aromatic odor. It is highly effective as a cross-linking agent and curing agent for unsaturated polyester resins, acrylic resins, and other thermosetting polymers. tert-Butyl peroxybenzoate is known for its excellent thermal stability and controlled decomposition properties, making it ideal for industrial applications requiring precise radical initiation. Available in various purity grades, this product is packaged under inert gas to ensure stability and longevity. Suitable for research, manufacturing, and specialty chemical synthesis, it is stored and shipped in compliance with strict safety regulations for organic peroxides.

Properties

• CAS Number: 614-45-9
• Complexity: 187
• IUPAC Name: tert-butyl benzenecarboperoxoate
• InChI: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
• InChI Key: GJBRNHKUVLOCEB-UHFFFAOYSA-N
• Exact Mass: 194.094294304
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• SMILES: CC(C)(C)OOC(=O)C1=CC=CC=C1
• Topological: 35.5
• Monoisotopic Mass: 194.094294304
• Physical Description: Tert-butyl peroxybenzoate, [<= 50% with inert inorganic solid] is a clear, colorless to slightly yellow liquid with a mild, aromatic odor. Also stored and transported as a mixture with inert solids and as a solvent slurry, to mitigate the explosion hazard.
• Color/Form: Colorless liquid
• Odor: Mild aromatic odor
• Boiling Point: 234 °F at 760 mmHg
• Melting Point: 46 °F
• Flash Point: 200 °F
• Solubility: less than 1 mg/mL at 68 °F
• Density: 1.04 at 77 °F – Denser than water; will sink
• Vapor Pressure: 0.33 mmHg at 122 °F
• Stability/Shelf Life: Stable under recommended storage conditions.
• Refractive Index: Index of refraction = 1.4990 at 20 °C/D
• Synonyms: tert-Butyl peroxybenzoate, 614-45-9, tert-Butyl perbenzoate, Novox, tert-Butyl peroxy benzoate, t-Butyl peroxybenzoate, t-Butyl peroxy benzoate, Benzenecarboperoxoic acid, 1,1-dimethylethyl ester, CCRIS 6217, HSDB 2891, NSC 674, EINECS 210-382-2, BRN 1342734, PEROXYBENZOIC ACID, T-BUTYL ESTER, DTXSID9024699, UNII-54E39145KT, AI3-06625, NSC-674, t-butyl benzoyl peroxide, DTXCID904699, EC 210-382-2, BUTYL PEROXYBENZOATE, TERT-, 4-09-00-00715 (Beilstein Handbook Reference), PEROXYBENZOIC ACID, T-BUTYL ESTER [HSDB], TERT-BUTYL PEROXYBENZOATE, (TECHNICALLY PURE), TERT-BUTYL PEROXYBENZOATE, [TECHNICALLY PURE], TERT-BUTYL PEROXYBENZOATE, (<= 75% IN SOLUTION), TERT-BUTYL PEROXYBENZOATE, [=95.0% (RT)

Application

tert-Butyl peroxybenzoate is primarily used as a free-radical initiator in the polymerization of styrene, acrylates, and other vinyl monomers. It is also employed as a curing agent for unsaturated polyester resins in the production of fiberglass-reinforced plastics and composite materials. Additionally, this compound finds application in the synthesis of specialty polymers and elastomers where controlled decomposition and radical generation are critical.

Safety and Hazards

GHS Hazard Statements

• H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
• H315: Causes skin irritation [Warning Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
• H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P210, P234, P235, P240, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501

Hazard Classes and Categories

• Org. Perox. D (92.8%)
• Skin Irrit. 2 (97.8%)
• Skin Sens. 1 (76.9%)
• Acute Tox. 4 (74.2%)
• Aquatic Acute 1 (76.8%)
• Aquatic Chronic 3 (51.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.