CAS 98-54-4 4-tert-Butylphenol - Materials / Alfa Chemistry

NAVIGATION

4-tert-Butylphenol

PRICE INQUIRY

Catalog Number

ACM98544

CAS Number

98-54-4

Product Name

4-tert-Butylphenol

Structure

Category

Pressure & Heat Sensitive Recording Materials

Synonyms

p-tert-Butylphenol;4-tert-Butylphenol;Phenol, 4-(1,1-dimethylethyl)-;

Description

4-tert-Butylphenol is a reactant in the preparation of (2-bromocyclopent-2-en-1-yl)phenols.

IUPAC Name

4-tert-butylphenol

Molecular Weight

150.22g/mol

Molecular Formula

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

96-100ºC

Flash Point

113ºC

Density

0.908

Solubility

8.7 g/L (20 ºC)

Appearance

White crystalline powder and has a disinfectant-like odor

Application

4-Tert-Butylphenol is primarily used as a versatile monomer in chemical synthesis, with major applications in the production of polycarbonate, phenolic resins, and epoxy resins. In the realm of polycarbonate synthesis, it acts as a chain terminator, which is crucial for manufacturing compact discs, DVDs, and CD-ROMs. Beyond this, 4-Tert-Butylphenol finds utility in a wide range of applications including as an intermediate for antioxidants and oil-soluble phenolic resins, as well as in the fabrication of neoprene glues and adhesives used across various industries such as shoemaking, leather, and automotive. Additionally, it serves roles in the production of casting molds, brake linings, insulated cables, adhesives, printing inks, and paper laminates. Its chemical properties make it suitable for use in coatings, polymers, and synthetic lubricant production. Furthermore, 4-Tert-Butylphenol can function as a carbon and energy supplement in specific bacterial culture mediums and plays a role in kinetic studies related to enzyme activity.

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

Hazard Class

Heat of Vaporization

67.9 kJ/mol

Heavy Atom Count

ICSC Number

0637

Log P

2.68970

MDL Number

MFCD00002367

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

1.4787

Rotatable Bond Count

RTECS Number

SJ8925000

Stability

Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.

Storage Conditions

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

UNII

O81VMW36CV

UN Number