8.01987

4-tert-Butylpyrocatechol

for synthesis

• Synonym(s): 4-tert-Butylpyrocatechol
• Linear Formula: 4-[(CH₃)₃C]C₆H₃-1,2-(OH)₂
• CAS Number: 98-29-3
• Molecular Weight: 166.22
• UNSPSC Code: 12352104
• EC Index Number: 202-653-9
• NACRES: NA.22
• MDL number: MFCD00002201
• Assay: ≥98.0% (GC)
• Form: solid

Properties

• vapor pressure: <1 hPa ( 25 °C)
• Quality Level: 200
• assay: ≥98.0% (GC)
• form: solid
• autoignition temp.: 160 °C
• potency: 815 mg/kg LD₅₀, oral (Rat), 1331 mg/kg LD₅₀, skin (Rat)
• kinematic viscosity: 100 cSt(57 °C)
• bp: 284-286 °C/1013 hPa
• mp: 52-55 °C
• transition temp: flash point 130 °C
• density: 1.05 g/cm³ at 60 °C
• bulk density: 650‑700 kg/m³
• storage temp.: 2-30°C
• SMILES string: Oc1c(ccc(c1)C(C)(C)C)O
• InChI: 1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
• InChI key: XESZUVZBAMCAEJ-UHFFFAOYSA-N

Description

Application

• Stabilization of Soil with 4-Tert-Butylpyrocatechol: Explores the use of 4-tert-butylpyrocatechol as a soil stabilizer to mitigate water′s adverse effects (JB Hemwall, DT Davidson, 2023).
• Anthranilamide-protected vinylboronic acid: rational monomer design for improved polymerization/transformation ability: Includes a discussion on the protonation of the C–B bond in organic molecules using 4-tert-butylpyrocatechol (H Suzuki et al., 2022).
• Selective oxidation of 4-tert-butylphenol by hydrogen peroxide in the presence of titanosilicates: Investigates the catalytic transformations of 4-tert-butylphenol into 4-tert-butylpyrocatechol using different catalysts (RR Talipova et al., 2016).
• A theoretical and experimental study for screening inhibitors for styrene polymerization: Discusses the use of 4-tert-butylpyrocatechol among other compounds as inhibitors in polymerization processes (A Darvishi et al., 2019).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 52 °C
Melting range (upper value): ≤ 57 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS07,GHS09
• signalword: Danger
• pcodes: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• wgk: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• hcodes: H302 + H312,H314,H317,H410
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class: 8A - Combustible corrosive hazardous materials