| Identification | More | [Name]
2,4,6-Tri-tert-butylphenol | [CAS]
732-26-3 | [Synonyms]
2,4,6-tris(1,1-dimethylethyl)-phenol
2,4,6-TRI-TERT-BUTYLPHENOL
2,4,6-Tris(tert-butyl)phenol
2,4,6-Tri-t-butylphenol
2,4,6-Tri-tert-butyl-1-hydroxybenzene
2,4,6-Tri-tert-butylhydroxybenzene
Alkofen B
P 23
P23
Phenol, 2,4,6-tri-tert-butyl-
phenol,2,4,6-tris(1,1-dimethylethyl)-
Phenol,2,4,6-tri-tert-butyl-
TM02
Tri-tert-butylphenol
Voidox
Tributylphenol,96%
2,4,6-Tri-tert-bulylphenol
Antioxidant 246
2,4,6-TRI-TERTIARY BUTYL PHENOL ( TTBP ) | [EINECS(EC#)]
211-989-5 | [Molecular Formula]
C18H30O | [MDL Number]
MFCD00008821 | [Molecular Weight]
262.43 | [MOL File]
732-26-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Solid. Insoluble in water; soluble
in most organic solvents. Combustible. | [Melting point ]
125-130 °C (lit.) | [Boiling point ]
277 °C (lit.) | [density ]
0.8640 | [vapor pressure ]
0.073Pa at 25℃ | [refractive index ]
1.5029 (estimate) | [Fp ]
130 °C | [storage temp. ]
-70°C | [solubility ]
Chloroform (Slightly), DMSO (Slightly, Sonicated) | [form ]
buffered aqueous glycerol solution | [pka]
12.61±0.40(Predicted) | [color ]
Off-White to Pale Yellow | [biological source]
rabbit | [Water Solubility ]
insoluble | [BRN ]
1913256 | [Specific Activity]
583-789nmol/min·mg | [Henry's Law Constant]
1.0×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) | [InChI]
1S/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 | [InChIKey]
PFEFOYRSMXVNEL-UHFFFAOYSA-N | [SMILES]
CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C | [LogP]
7.1 at 35℃ | [CAS DataBase Reference]
732-26-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Phenol, 2,4,6-tris(1,1-dimethylethyl)-(732-26-3) | [EPA Substance Registry System]
732-26-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS07,GHS08,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H302-H317-H360D-H373-H410 | [Precautionary statements ]
P202-P273-P280-P301+P312-P302+P352-P308+P313 | [Hazard Codes ]
F,C,N,Xi,Xn | [Risk Statements ]
R11:Highly Flammable.
R22:Harmful if swallowed.
R34:Causes burns.
R50:Very Toxic to aquatic organisms.
R53:May cause long-term adverse effects in the aquatic environment.
R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic 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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 2430 8/PG 3
| [WGK Germany ]
3
| [RTECS ]
SN3570000
| [F ]
8-23 | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29071990 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 1B
Skin Sens. 1B
STOT RE 2 | [Hazardous Substances Data]
732-26-3(Hazardous Substances Data) | [Toxicity]
LD50 oral in rat: 1670mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
Solid. Insoluble in water; soluble
in most organic solvents. Combustible. | [Uses]
2,4,6-Tri-tert-butylphenol is an antioxidant; used in preparation method of high-temperature resistant electromagnetic shielding electromagnetic bushing. | [Flammability and Explosibility]
Nonflammable | [Biological Activity]
CDK5 is a member of the Cyclin-Dependent Kinase family th at is most abundant in the mammalian brain. Active form of CDK5which has also been called neuronal cdc2-like kinaseis a heterodimer of CDK5 and a 25 kDa protein which is derived proteolytically from a 35 kDa brain and neuron-specific protein and is essential for the kinase activity of CDK5. CDK5 has emerged as a crucial regulator of neuronal migration in the developing central nervous system. CDK5 phosphorylates a diverse list of substratesimplicating it in the regulation of a range of cellular processes - from adhesion and motilityto synaptic plasticity and drug addiction. | [Biochem/physiol Actions]
CDK5 is a member of the Cyclin-Dependent Kinase family that is most abundant in the mammalian brain. Active form of CDK5, which has also been called neuronal cdc2-like kinase, is a heterodimer of CDK5 and a 25 kDa protein which is derived proteolytically from a 35 kDa brain and neuron-specific protein and is essential for the kinase activity of CDK5. CDK5 has emerged as a crucial regulator of neuronal migration in the developing central nervous system. CDK5 phosphorylates a diverse list of substrates, implicating it in the regulation of a range of cellular processes - from adhesion and motility, to synaptic plasticity and drug addiction. | [Purification Methods]
Distil the phenol under reduced pressure and/or recrystallise it from n-hexane or several times from 95% EtOH until the EtOH solution is colourless [Balasubramanian & Bruice J Am Chem Soc 108 5495 1986]. It has also been purified by sublimation [Yuan & Bruice J Am Chem Soc 108 1643 1986, Wong et al. J Am Chem Soc 109 3428 1987]. Purification has also been achieved by passage through a silica gel column followed by recrystallisation from n-hexane [Kajii et al. J Phys Chem 91 2791 1987]. [Beilstein 6 III 2094, 6 IV 3539.] | [Toxicity evaluation]
In order to study the chronic toxicity of 2,4,6-tri-tert-butylphenol (TTBP), groups of 40 Slc: Wistar rats of either sex were fed a diet containing 0, 30, 100, 300, or 1000 ppm of TTBP for up to 24 months. Hematological, biochemical, and histopathological examinations performed periodically revealed slight microcytic anemia, changes in some biochemical parameters relating to liver function, and focal necrosis of liver cells following TTBP administration, and these changes observed in females were more severe than those in males. No neoplastic responses following TTBP administration were noted. Hence, it was concluded that TTBP causes liver injury characterized by focal necrosis with microcytic anemia and elevations of serum phospholipids and cholesterol levels, presumably occurring as secondary effects following the liver injury[1]. | [References]
[1] Matsumoto, Kiyoshi , et al. "Chronic toxicity of 2,4,6-tri-tert-butylphenol in rats." Journal of Toxicological Sciences 16.4(1991):167. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,6-Tri-tert-butylphenol(732-26-3)1HNMR
2,4,6-Tri-tert-butylphenol(732-26-3)13CNMR
2,4,6-Tri-tert-butylphenol(732-26-3)IR1
2,4,6-Tri-tert-butylphenol(732-26-3)Raman
2,4,6-Tri-tert-butylphenol(732-26-3)ESR
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