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4-tert-Butylphenol

Catalog Number
ACM98544
Product Name
4-tert-Butylphenol
Structure
CAS
98-54-4
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
Color/Form
Needles from water;Needles from lignin;White crystals;Crystals, needles, or practically white flakes
Complexity
115
Covalently-Bonded Unit Count
1
EC Number
202-679-0
Exact Mass
150.104465g/mol
Formal Charge
0
Hazard Class
8
Heat of Vaporization
67.9 kJ/mol
Heavy Atom Count
11
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
1
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
2430;2430
Vapor Density
5.1 (NTP, 1992) (Relative to Air);5.1 (Air = 1);5.1
Vapor Pressure
1 mm Hg ( 70 °C)
Viscosity
2.4 mPa.s at 110 °C
WGK Germany
2
XLogP3
3.3
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