Catalog Number
ACMA00017297
Product Name
4-Tert-Butylphenol
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)
Color/Form
Needles from water;Needles from lignin;White crystals;Crystals, needles, or practically white flakes
Covalently-Bonded Unit Count
1
Exact Mass
150.104465g/mol
Heat of Vaporization
67.9 kJ/mol
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
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
Stability
Stable under recommended storage conditions.
Vapor Density
5.1 (NTP, 1992) (Relative to Air);5.1 (Air = 1);5.1
Vapor Pressure
1 mm Hg at 158 °F (NTP, 1992);0.04 mmHg;0.00919 mm Hg at 25 °C;Vapor pressure, Pa at 50 °C: 30;1 mmHg
Viscosity
2.4 mPa.s at 110 °C
online inquiry
