CAS No.732-26-3,2,4,6-Tri-tert-butylphenol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	732-26-3
Name:	2,4,6-Tri-tert-butylphenol
Article Data:	102

Formula:	C₁₈H₃₀O
Molecular Weight:	262.436
Synonyms:	Phenol,2,4,6-tri-tert-butyl- (6CI,7CI,8CI);2,4,6-Tri-t-butylphenol;2,4,6-Tri-tert-butyl-1-hydroxybenzene;2,4,6-Tris(1,1-dimethylethyl)phenol;2,4,6-Tris(tert-butyl)phenol;Alkofen B;NSC 14459;P 23;P 23 (phenol);TM 02;Tri-tert-butylphenol;Voidox;
EINECS:	211-989-5
Density:	0.911 g/cm³
Melting Point:	125-130 °C(lit.)
Boiling Point:	278 °C at 760 mmHg
Flash Point:	129.3 °C
Solubility:	insoluble in water
Appearance:	yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	11-22-34-50-53-36/37/38-51/53
Safety:	26-36/37/39-45-60-61-24/25
Transport Information:	UN 2430 8/PG 3
PSA:	20.23000
LogP:	5.28470

Synthetic route

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: C39H17F33Fe4S8(3-)*2C16H36N(1+)

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: C39H17F33Fe4S8(2-)*2C16H36N(1+)

Conditions

Conditions	Yield
With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate]	A 50% B 100%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butyl phenoxyl radical

: fac-[Re(SHSbpy)(CO)3Cl](1-)

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: C13H6ClN2O3ReS2(1-)

C: fac-[Re(1,2-dithiino[4,3-b:5,6-b′]dipyridine)(CO)3Cl]

D: fac-[Re(S2bpy)(CO)3Cl](2-)

Conditions

Conditions	Yield
In [D3]acetonitrile at -30℃; for 0.116667h;	A 100% B n/a C n/a D n/a

...Expand

: thiol

: C47H72Fe4NS7(1-)

A: {Fe4S4(S-2,4,6-(i-Pr)3C6H2)4}(1-)

B: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With 2,4,6-tri-tert-butylphenoxyl	A 20% B 90%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: C72H116Fe4S8(3-)*2C16H36N(1+)

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: C72H116Fe4S8(2-)*2C16H36N(1+)

Conditions

Conditions	Yield
With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate]	A 65% B 85%

...Expand

: 1988-75-6
4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
In isopropyl alcohol for 1h; Heating;	80%
With picoline In ethylene glycol at 110℃; for 1h;	80%

: 15988-11-1
4-Phenylurazole

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 1,2-Bis-(1,3,5-tri-tert-butyl-4-oxo-cyclohexa-2,5-dien-1-yl)-4-phenyl-1,2,4-triazolidin-3,5-dion

Conditions

Conditions	Yield
In benzene at 25℃; for 7h;	A n/a B 78%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: 2210-63-1
mofebutazone

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4-n-Butyl-1-(1,3,5-tri-tert-butyl-4-oxo-cyclohexa-2,5-dien-1-yl)-2-phenyl-pyrazolidin-3,5-dion

Conditions

Conditions	Yield
In benzene at 25℃; for 2.5h;	A 50% B 78%

...Expand

: 75-21-8
oxirane

: 128-39-2
2,6-di-tert-butylphenol

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 3673-68-5
2-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol

C: 1296885-00-1
2,6-di-tert-butyl-4,4-bis(2-hydroxyethyl)cyclohexa-2,5-dien-1-one

D: 39169-63-6
ethylene glycol 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-ethyl ether

Conditions

Conditions	Yield
With tin(IV) chloride In Trichloroethylene at -10 - 10℃;	A 4% B 75% C n/a D n/a

...Expand

: 96455-63-9
{Fe4S4(S-2,4,6-(i-Pr)3C6H2)4}(3-)

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: {Fe4S4(S-2,4,6-(i-Pr)3C6H2)4}(2-)

B: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate]	A 75% B 50%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 96-76-4
2,4-di-tert-Butylphenol

C: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 24% B 67% C 9%

...Expand

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,4,6-Tri-tert-butylphenol, with the cas registry number 732-26-3, has the IUPAC name of 2,4,6-tritert-butylphenol. This is a kind of yellow crystalline powder and is in soluble in water. Its product categories are various, including industrial/fine chemicals; organics; organic building blocks; oxygen compounds; phenols. Besides, it is used as an antiager for natural rubber, and an inefficient stabilizer for synthetic rubber.

The characteristics of this chemical are as below: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.55; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 55676.36; (6)ACD/BCF (pH 7.4): 55675.99; (7)ACD/KOC (pH 5.5): 86802.62; (8)ACD/KOC (pH 7.4): 86802.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 83.29 cm³; (15)Molar Volume: 287.9 cm³; (16)Polarizability: 33.02 ×10^-24 cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 129.3 °C; (20)Enthalpy of Vaporization: 53.74 kJ/mol; (21)Boiling Point: 278 °C at 760 mmHg; (22)Vapour Pressure: 0.00259 mmHg at 25°C; (23)Exact Mass: 262.229666; (24)MonoIsotopic Mass: 262.229666; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 19; (27)Formal Charge: 0; (28)Complexity: 273.

Production method of this chemical is as below: 4-bromo-2,4,6-tri-tert-butyl-cyclohexa-2,5-dienone could react to produce 2,4,6-tri-tert-butyl-phenol, with the following condition: solvent: propan-2-ol; reaction time: 1 hour; yield: 80%; other condition: heating.

Use of 2,4,6-Tri-tert-butylphenol: 2,4,6-Tri-tert-butylphenol could react with tert-butyl hydroperoxide to produce 2,4,6-tri-tert-butyl-4-tert-butylperoxy-cyclohexa-2,5-dienone, with the following condition: reagent: cobalt naphthenate and benzene.

When you are using this chemical, please be very cautious. For one thing, this is harmful to our health. It is irritating to eyes, respiratory system and skin, and if swallowed, it will bring damage to our health. Therefore, you should take the following instruction to protect yourself. Wear suitable protective clothing, gloves and eye/face protection, and then avoid contacting with skin and eyes. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). For another thing, it is very Toxic to the environment. Being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment, and it may cause long-term adverse effects in the aquatic environment. Lastly, this is highly flammable. It could cause burns. Therefor, while keeping, this material and/or its container must be disposed of as hazardous waste. And then avoid releasing to the environment, with refering to special instructions safety data sheet.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
(2)InChI:InChI=1/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	1670mg/kg (1670mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LIVER: OTHER CHANGES	Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.