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8.01987

Sigma-Aldrich

4-tert-Butylpyrocatechol

for synthesis

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

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

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

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

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Certificates of Analysis (COA)

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