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
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
118°C
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)
Related CAS
50356-17-7 (Deleted CAS)
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.
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' -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' -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 |
