CAS 98-54-4 4-tert-Butylphenol Zone Refined (number of passes:19)

NAVIGATION

4-tert-Butylphenol Zone Refined (number of passes:19)

PRICE INQUIRY

Catalog Number

ACM98544-2

CAS Number

98-54-4

Product Name

4-tert-Butylphenol Zone Refined (number of passes:19)

Structure

Category

Other Material Building Blocks; Heat & Pressure Sensitive Dyes

Description

Crystals or practically white flakes. Has a disinfectant-like odor. May float or sink in water. Insoluble in water. (NTP, 1992);DryPowder; Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;Solid;WHITE HYGROSCOPIC FLAKES.;White needle-like crystals, phenolic odour;Crystals or white flakes with disinfectant-type odor.

IUPAC Name

4-tert-butylphenol

Molecular Weight

150.22g/mol

Molecular Formula

C10H14O;HOC6H4C(CH3)3;C10H14O

Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

InChI Key

QHPQWRBYOIRBIT-UHFFFAOYSA-N

Boiling Point

463.1 °F at 760 mm Hg (NTP, 1992);237.0 °C;239 °C;237 °C;463.1°F

Melting Point

214 °F (NTP, 1992);98.0 °C;Mp 99 °;98 °C;99°C;98 °C;214°F

Flash Point

235 °F (NTP, 1992);113 °C (235 °F) - closed cup;115 °C o.c.;235°F

Density

0.908 at 176 °F (NTP, 1992);1.037 at 25 °C;0.9 g/cm³;0.908

Solubility

Insoluble (NTP, 1992);0.00 M;0.58 mg/mL at 25 °C;In water, 580 mg/L at 25 °C;In water, 610 mg/L at 25 deg (OECD Guideline 105);In water, 607.2 mg/L at 25 °C (pH 6-7) National Standard ASTM E 1148 - 02, which is similar to OECD Guideline No. 105);Soluble in ethanol, ether, chloroform, alkalis;0.58 mg/mL at 25 °C;Solubility in water: none;insoluble in water; soluble in ethanol; soluble in ether;moderately soluble (in ethanol)

Application

4-tert-Butylphenol Zone Refined (19 passes) serves a critical role in various industries by acting as a versatile component in the synthesis of numerous products. This refined chemical form of 4-tert-butylphenol is predominantly utilized as a monomer in chemical synthesis, contributing significantly to the production of essential materials such as polycarbonate and phenolic resins. Notably, within the polycarbonate synthesis process, it functions effectively as a chain terminator. The resultant polycarbonate is widely employed in manufacturing optical media like compact discs, DVDs, and CD-ROMs. Besides its pivotal role in polymer production, 4-tert-butylphenol is integrated into the development of adhesives, sealants, and coatings. It also finds application in producing an array of other substances, including glycidyl ethers, phosphate esters, and oil field chemicals, such as demulsifiers. Its utility extends further as an intermediate in creating oil-soluble phenolic resins, synthetic lubricants, industrial odorants, and even motor-oil additives. Additionally, 4-tert-butylphenol is used in specialized fields, serving as a component in casting molds, car-brake linings, insulated electrical cables, and paper laminates. Its refined properties make it suitable for precise scientific studies, such as the kinetic analysis of enzymatic reactions, and for exploring the synthesis of intricate structures like calix[7]arene, highlighting its significance in both industrial applications and research.

Color/Form

Needles from water;Needles from lignin;White crystals;Crystals, needles, or practically white flakes

Complexity

115

Covalently-Bonded Unit Count

EC Number

202-679-0

Exact Mass

150.104465g/mol

Formal Charge

Heat of Vaporization

67.9 kJ/mol

Heavy Atom Count

ICSC Number

0637

Log P

3.31 (LogP);3.31;log Kow = 3.31;3.31;2.4/3.4

MeSH Entry Terms

4-(t-butyl)phenol;4-tert-butylphenol;4-tertiary-butylphenol;butylphen;p-tert-butylphenol;para-tertiary-butylphenol

Monoisotopic Mass

150.104465g/mol

NSC Number

3697

Odor

Distinctive odor

Other Experimental

Volatile with steam;Density: 0.908 g/cu cm at 80 °C;Vapor Pressure: 0.00375 mm Hg at 20 °C;Henry's Law constant = 1.19X10-6 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 4.1X10-11 cu-cm/molc sec at 25 °C (est)

Refractive Index

Refractive Index: 1.4787 at 114 °C

Rotatable Bond Count

RTECS Number

SJ8925000

Stability

Stable under recommended storage conditions.

UNII

O81VMW36CV

UN Number

2430;2430

Vapor Density