2,6-Di-tert-butylphenol

Product Information

Molecular Formula:
C14H22O
Molecular Weight:
206.32
Synonyms
Phenol, 2,6-bis(1,1-dimethylethyl)-; 2,6-Bis(1,1-dimethylethyl)phenol; Phenol, 2,6-di-tert-butyl-; 2,6-Bis(tert-butyl)phenol; 2,6-Di-(1,1-Dimethylethyl)phenol; 2,6-Di-t-butylphenol; 2,6-Di-tert-butyl-4-phenol; 2,6-Di-tert-butylhydroxybenzene; 2,6-tert-Butylphenol; Agidol 0; Aladdin 1138077; AN 701; Antioxidant T 502; Ethanox 4701; Ethanox 4733; Ethyl 701; Ethyl AN 701; Hitec 4701; Isonox 103; Kerobit TP 26; KY 02; Na Lube AO 242; NSC 49175; T 502; T 502 (antioxidant)
IUPAC Name
2,6-ditert-butylphenol
Canonical SMILES
CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
InChI
InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
InChI Key
DKCPKDPYUFEZCP-UHFFFAOYSA-N
Boiling Point
253°C
Melting Point
37°C
Flash Point
118ºC
Purity
95%
Density
0.914 g/cm3
Solubility
Soluble in Acetone, Alcohol, Benzene, Carbontetrachloride, Diethyl Ether, Ethyl Alcohol
Appearance
Clear to pale yellow semi soild
Application
Used as an intermediate and an antioxidant in aviation gasoline; Used as an intermediate for the production of higher molecular weight phenolic antioxidants; Also used as an oxidation inhibitor and stabilizer for fuel, oil, and gasoline.
Storage
Store at 2-8°C
Refractive Index
1.5312
Stability
Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents.
LogP
3.98720
Vapor Pressure
<0.01 mm Hg ( 20 °C)

Safety Information

Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
4.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
206.167065321 g/mol
Monoisotopic Mass
206.167065321 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
184
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114181046-A Preparation method of 4,4&#39; -biphenol with low energy consumption 2021-12-27
CN-114181054-A Synthesis method of 3, 5-di-tert-butyl-4-hydroxybenzyl methyl ether 2021-12-24
CN-114181082-A Synthesis method of methyl 3- (3, 5-di-tert-butyl-4-hydroxyphenyl) propionate 2021-12-24
CN-114133736-A Master batch for engineering plastics and preparation method thereof 2021-12-23
CN-114163331-A Preparation method of ultra-pure photoresist reagent methyl 3-methoxypropionate 2021-12-23
CN-114149836-A No. 102 lead-free aviation gasoline and production method thereof 2021-12-20
CN-114181052-A Preparation method of high-purity 4, 4&#39; -biphenol 2021-12-20
CN-114058161-A Black master batch capable of completely biodegrading plastics 2021-12-14
CN-114015222-A High-pigment carbon black master batch and preparation method thereof 2021-12-06
CN-114058418-A Gasoline additive and preparation method thereof 2021-11-30

Literatures

PMID Publication Date Title Journal
33352258 2021-03-01 In vitro screening for chemical inhibition of the iodide recycling enzyme, iodotyrosine deiodinase Toxicology in vitro : an international journal published in association with BIBRA
22422058 2012-04-25 Antioxidant-substituted tetrapyrazinoporphyrazine as a fluorescent sensor for basic anions Chemical communications (Cambridge, England)
21875068 2011-10-12 Reversible photoredox switching of porphyrin-bridged bis-2,6-di-tert-butylphenols Journal of the American Chemical Society
21106277 2011-01-01 Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities European journal of medicinal chemistry
21687598 2011-01-01 In Vitro and In Vivo Antimalarial Activity Assays of Seeds from Balanites aegyptiaca: Compounds of the Extract Show Growth Inhibition and Activity against Plasmodial Aminopeptidase Journal of parasitology research
20938768 2010-12-01 Determination of antioxidants in new and used lubricant oils by headspace-programmed temperature vaporization-gas chromatography-mass spectrometry Analytical and bioanalytical chemistry
21152422 2010-11-30 Spike avalanches exhibit universal dynamics across the sleep-wake cycle PloS one
20306526 2010-09-01 Prevention of polyurethane oxidative degradation with phenolic antioxidants covalently attached to the hard segments: structure-function relationships Journal of biomedical materials research. Part A
20000658 2010-01-18 Chiral indium alkoxide complexes as initiators for the stereoselective ring-opening polymerization of rac-lactide Inorganic chemistry
20631836 2010-01-01 Antioxidative activity of ferrocenes bearing 2,6-di-tert-butylphenol moieties Bioinorganic chemistry and applications
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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