124281

3-tert-Butylphenol

99%

• Linear Formula: (CH₃)₃CC₆H₄OH
• CAS Number: 585-34-2
• Molecular Weight: 150.22
• EC Number: 209-553-4
• MDL number: MFCD00002300
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847608
• NACRES: NA.22

Properties

• assay: 99%
• bp: 125-130 °C/20 mmHg (lit.)
• mp: 44-46 °C (lit.)
• SMILES string: CC(C)(C)c1cccc(O)c1
• InChI: 1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
• InChI key: CYEKUDPFXBLGHH-UHFFFAOYSA-N
• Gene Information: mouse ... Esr1(13982)

Description

General description

3-tert-Butylphenol undergoes stereoselective hydrogenation over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent.

Application

3-tert-Butylphenol has been used to study the effect of alkyl group on the phenol ring on the estrogenic potency of alkylphenolic compounds in the yeast screen.

Other Notes

Contains 4-tert-butylphenol

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 228.2 °F - closed cup
• flash_point_c: 109 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges