| Identification | More | [Name]
2,6-Di-tert-butylphenol | [CAS]
128-39-2 | [Synonyms]
2,6-BIS(1,1-DIMETHYLETHYL)PHENOL
2,6-DI-T-BUTYLPHENOL
2,6-DI-TERT-BUTYLPHENOL
2,6 DTBP
AKOS BBS-00004373
IONOX(R) 99
ISONOX(R) 103
2,6-(1,1-Dimethylethyl)phenol
2,6-bis(1,1-dimethylethyl)-pheno
2,6-Bis(t-butyl)phenol
2,6-Bis(tert-butyl)phenol
2,6-Dibutylphenol
2,6-di-butylphenol
2,6-di-tert-butyl-pheno
2DTBP
AN701
Ethanox 701
ethanox701
Ethyl 701
Ethyl701 | [EINECS(EC#)]
204-884-0 | [Molecular Formula]
C14H22O | [MDL Number]
MFCD00008820 | [Molecular Weight]
206.32 | [MOL File]
128-39-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white solid | [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 | [Fp ]
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 | [Stability:]
Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents. | [Water Solubility ]
insoluble | [FreezingPoint ]
35.0 to 37.0 ℃ | [BRN ]
1841887 | [Henry's Law Constant]
3.1×100 mol/(m3Pa) at 25℃, HSDB (2015) | [InChI]
1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3 | [InChIKey]
DKCPKDPYUFEZCP-UHFFFAOYSA-N | [SMILES]
CC(C)(C)c1cccc(c1O)C(C)(C)C | [LogP]
4.5 at 24℃ | [CAS DataBase Reference]
128-39-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Phenol, 2,6-bis(1,1-dimethylethyl)-(128-39-2) | [EPA Substance Registry System]
128-39-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H315-H410 | [Precautionary statements ]
P264-P273-P280-P302+P352-P332+P313-P362+P364 | [Hazard Codes ]
Xn,N | [Risk Statements ]
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S29:Do not empty into drains . | [RIDADR ]
UN 3145 8/PG 3
| [WGK Germany ]
2
| [RTECS ]
SK8265000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29071900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2 | [Hazardous Substances Data]
128-39-2(Hazardous Substances Data) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Phenol-->Isobutylene-->Benzene, 1,3-bis(1,1-dimethylethyl)-2-methoxy--->Benzoic acid, 2,6-bis(1,1-dimethylethyl)--->1,3,5-Triazine, 2-phenyl-4,6-bis(trichloromethyl)--->3,5-Di-tert-butyl-4-hydroxybenzyl alcohol-->Phenol, 2,6-bis(1,1-dimethylethyl)-4-[[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]oxy]methyl]--->1,3-DI-TERT-BUTYLBENZENE-->Carbon dioxide | [Preparation Products]
Antioxidant 1010-->Antioxidant 1076-->Antioxidant3114-->Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate-->Probucol-->4,4'-Methylenebis(2,6-di-tert-butylphenol)-->3,5-di-tert-butyl-4-hydroxybenzyl acetate-->4,4'-Ethylenebis(2,6-ditert-butylphenol) |
| Hazard Information | Back Directory | [General Description]
Odorless colorless to light yellow solid or liquid. Floats on water. Freezing point is 97°F. | [Reactivity Profile]
Phenols, such as DIBUTYLPHENOL(128-39-2), 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. | [Air & Water Reactions]
Insoluble in water. | [Health Hazard]
Irritates eyes and (on prolonged contact) skin. Ingestion causes irritation of mouth and stomach. | [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]
Antioxidant for Gasoline, Jet Fuels, and Electrical Insulating Oils | [Uses]
Antioxidant Intermediate, Pharmaceuticals | [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. | [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. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
2,6-Di-tert-butylphenol is synthesized by the alkylation of phenol or 2-tert-butylphenol with isobutene[2]. An improved process involves the alkylation of 2-tert-butylphenol with isobutene in the presence of tris(2-tert-butylphenolate)aluminium under low temperature and low pressure conditions[2]. | [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.
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