2,6-Di-tert-butylphenol - CAS 128-39-2

Name: 2,6-Di-tert-butylphenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006901
Product Name:	2,6-Di-tert-butylphenol
CAS:	128-39-2
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)
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.

Technical Data

Related CAS:	50356-17-7 (Deleted CAS)
IUPAC Name:	2,6-ditert-butylphenol
Molecular Weight:	206.32
Molecular Formula:	C14H22O
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:	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
Storage:	Store at 2-8°C
MDL:	MFCD00008820
LogP:	3.98720
Refractive Index:	1.5312
Stability:	Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents.
Vapor Pressure:	<0.01 mm Hg ( 20 °C)

GHS Hazard Statement:	H315 (95.92%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Publication Number	Title	Priority Date
CN-113461504-A	Method for preparing macrocyclic alkanone from epoxide	20210813
CN-113502062-A	Antioxidant composite waterproof coiled material	20210719
CN-113429674-A	Easily degradable plastic woven bag	20210715
CN-113416595-A	Method for reducing friction of special anti-wear hydraulic oil for high-pressure plunger pump	20210714
CN-113372858-A	Medical hot-melt pressure-sensitive adhesive for magnetic therapy patch and preparation method thereof	20210712

PMID	Publication Date	Title	Journal
33352258	20210301	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	20120425	Antioxidant-substituted tetrapyrazinoporphyrazine as a fluorescent sensor for basic anions	Chemical communications (Cambridge, England)
21875068	20111012	Reversible photoredox switching of porphyrin-bridged bis-2,6-di-tert-butylphenols	Journal of the American Chemical Society
21106277	20110101	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	20110101	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

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.167065321
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.167065321
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9