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2,6-Di-tert-butylphenol

CAS No.128-39-2
Chemical Name:2,6-Di-tert-butylphenol
CBNumber:CB8408639
Molecular Formula:C14H22O
Formula Weight:206.32
MOL File:128-39-2.mol

2,6-Di-tert-butylphenol Property

Melting point 34-37 °C(lit.)
Boiling point 253 °C(lit.)
Density 0.91
vapor pressure <0.01 mm Hg ( 20 °C)
refractive index 1.5312
Flash point 245 °F
storage temp. Sealed in dry,2-8°C
solubility 0.003g/l
form Crystalline Solid
pka 12.16±0.40(Predicted)
color White to light yellow
Water Solubility insoluble
FreezingPoint 35.0 to 37.0 ℃
BRN 1841887
Stability Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents.
LogP 4.5 at 24℃
CAS DataBase Reference 128-39-2(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 21294V58PF
NIST Chemistry Reference Phenol, 2,6-bis(1,1-dimethylethyl)-(128-39-2)
EPA Substance Registry System 2,6-Di-tert-butylphenol (128-39-2)
UNSPSC Code 41116107
NACRES NA.24

Safety

Hazard Codes :Xn,N,Xi
Risk Statements :22-51/53-52/53-50/53-38
Safety Statements :26-36-61-29-60
RIDADR :UN 3145 8/PG 3
WGK Germany :2
RTECS :SK8265000
TSCA :Yes
HazardClass :9
PackingGroup :III
HS Code :29071900
Hazardous Substances Data :128-39-2(Hazardous Substances Data)

NFPA 704:

	1
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H410
Precautionary statements P264-P273-P280-P302+P352-P332+P313-P362+P364

2,6-Di-tert-butylphenol Price More Price(8)

Brand: Sigma-Aldrich(India)
Product number: D48400
Product name : 2,6-Di-tert-butylphenol
Purity: 99%
Packaging: 25G
Price: ₹996.99
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: D48400
Product name : 2,6-Di-tert-butylphenol
Purity: 99%
Packaging: 500G
Price: ₹2035.1
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: D48400
Product name : 2,6-Di-tert-butylphenol
Purity: 99%
Packaging: 1KG
Price: ₹3247.5
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: CRM96852
Product name : 2,6-Di-tert-butylphenol
Purity: certified reference material, TraceCERT?
Packaging: 100MG
Price: ₹13899.3
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Brand: TCI Chemicals (India)
Product number: D0941
Product name : 2,6-Di-tert-butylphenol
Purity: min. 98.0 %
Packaging: 25G
Price: ₹1500
Updated: 2022/05/26
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2,6-Di-tert-butylphenol Chemical Properties,Usage,Production

Description 2,6-Di-tert-butylphenol (2,6-DTBP) serves as the starting material in the production of the most efficient phenolic antioxidants known today and also for the synthesis of 4,4′-dihydroxybiphenyl. The compound is usually synthesised by the alkylation of phenol or of 2-tert-butylphenol (2-TBP) with isobutene. In the presence of aluminium tris-(phenolate) catalyst temperatures between 100 and 125 °C and at pressures up to 25 bar have been employed[1].
Chemical Properties white solid
Uses Widely used as antioxidant in fuels, lubricants and polymers. Employed as a synthetic intermediate for the production of higher molecular weight phenolic antioxidants. Used as an oxidation inhibitor and stabilizer (e.g. for fuel, oil and gasoline) and also used in plastics and rubber. Also applied as an intermediate and an antioxidant in aviation gasoline.
Uses Antioxidant Intermediate, Pharmaceuticals
Uses Antioxidant for Gasoline, Jet Fuels, and Electrical Insulating Oils
Definition ChEBI: 2,6-di-tert-butylphenol is a member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. It has a role as an antioxidant. It is a member of phenols and an alkylbenzene.
General Description Odorless colorless to light yellow solid or liquid. Floats on water. Freezing point is 97°F.
Air & Water Reactions Insoluble in water.
Reactivity Profile Phenols, such as 2,6-Di-tert-butylphenol, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.
Health Hazard Irritates eyes and (on prolonged contact) skin. Ingestion causes irritation of mouth and stomach.
Flammability and Explosibility Non flammable
Purification Methods Crystallise the phenol from aqueous EtOH or n-hexane. [Beilstein 6 III 2061.]
References [1] Küpper, Friedrich-Wilhelm. “A new mechanism — key for an improved synthesis of 2,6-di-tert-butylphenol.” Applied Catalysis A: General 264 2 (2004): Pages 253-262.