3,5-Di-Tert-Butylphenol

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Catalog Number
ACM1138529
Product Name
3,5-Di-Tert-Butylphenol
Structure
Structure
CAS
1138-52-9
Category
Inhibitors
Description
3,5-Di-tert-butylphenol is an volatile organic compound with anti-biofilm and antifungal activities. 3,5-Di-tert-butylphenol induces accumulation of reactive oxygen species (ROS).
Synonyms
3,5-ditert-butylphenol
IUPAC Name
3,5-Di-tert-butylphenol
Molecular Weight
206.32
Molecular Formula
C14H22O
Canonical SMILES
OC1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
Boiling Point
276.7ºC at 760mmHg
Melting Point
87-89°C(lit.)
Flash Point
127.2ºC
Density
0.932g/cm³
Appearance
off-white crystals or powder
Storage
4°C, stored under nitrogen*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen).
Complexity
184
Defined Atom Stereocenter Count
0
Exact Mass
206.1670
Formal Charge
0
Hazard Statements
C
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
206.1670
Packing Group
III
Rotatable Bond Count
2
Safety Description
26-36/37/39-45
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
Endophytic Burkholderia cenocepacia
Stability
Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys.
Topological Polar Surface Area
20.2 Ų
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