tert-butyl ethaneperoxoate

• ChemBase ID: 107298
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: CC(=O)OOC(C)(C)C
• Canonical SMILES: CC(=O)OOC(C)(C)C
• InChI: InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3
• InChIKey: SWAXTRYEYUTSAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl ethaneperoxoate
• IUPAC Traditional name: tert-butyl ethaneperoxoate
• Synonyms: tert-BUTYL-PERACETATE, 75% IN MINERAL SPIRITS; tert-Butyl peracetate solution; tert-Butyl peracetate (Luperox® 7M50) solution; tert-Butyl peracetate solution; tert-Butyl ethaneperoxoate; 过氧乙酸叔丁酯 溶液; 过氧乙酸叔丁酯 (Luperox® 7M50) 溶液; 过氧乙酸叔丁酯 溶液

Database IDs

• CAS Number: 107-71-1
• EC Number: 203-514-5
• MDL Number: MFCD00048240
• PubChem SID: 24864203; 162094545
• PubChem CID: 61019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1276109
• LogD (pH = 7.4): 1.1276109
• Log P: 1.1276109
• Molar Refractivity: 32.5686 cm^3
• Polarizability: 13.281858 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-30°C
• Flash Point: 37 °C; 98.6 °F
• Density: 0.828 g/mL at 25 °C; 0.83 g/mL at 25 °C; 0.885 g/ml
• Refractive Index: n20/D 1.412; n20/D 1.413

Safety Information

• RTECS: QK8837500
• European Hazard Symbols: Flammable (F); Oxidising (O); Toxic (T); Irritant (Xi)
• UN Number: 3103
• German water hazard class: 3
• Hazard Class: 5.2
• Risk Statements: 45-46-7-10-22-36/37/38-65; R:7-10-36/37/38
• Safety Statements: 53-3/7-14-26-36/37/39-45-62; S:3/9/14-16-26-29-36/37/39
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H242-H302-H304-H315-H319-H335-H340-H350
• GHS Precautionary statements: P201-P220-P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3103 5.2

Product Information

• Purity: 95+%
• Concentration: 50 wt. % in aliphatic hydrocarbons; 50 wt. % in odorless mineral spirits
• t1/2: 10 hr(101 °C, 0.2 M in benzene)
• Linear Formula: CH3CO3C(CH3)3

DETAILS

MP Biomedicals - 05203271

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 388076

Packaging
500 mL in poly bottle
Application
Allows the direct copper catalyzed acetoxylation of β-lactams at the 4-position.1

Sigma Aldrich - 513679

Application
Polymerization initiator.
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.