CAS No.15181-11-0,3,5-DI-TERT-BUTYLTOLUENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15181-11-0
Name:	3,5-DI-TERT-BUTYLTOLUENE
Article Data:	38

Formula:	C₁₅H₂₄
Molecular Weight:	204.356
Synonyms:	Toluene,3,5-di-tert-butyl- (6CI,7CI,8CI);1,3-Di-tert-butyl-5-methylbenzene;1-Methyl-3,5-di-tert-butylbenzene;3,5-Bis(tert-Butyl)toluene;3,5-Di-tert-butyltoluene;
EINECS:	239-230-3
Density:	0.854 g/cm³
Melting Point:	31-32 °C(lit.)
Boiling Point:	244 °C at 760 mmHg
Flash Point:	91.1 °C
Appearance:	Colorless liquid
Risk Codes:	36/37/38
Safety:	23-24/25
PSA:	0.00000
LogP:	4.59000

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Specification

The Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-, with the CAS registry number 15181-11-0, is also known as 3,5-Bis(tert-Butyl)toluene. It belongs to the product categories of Arenes; Building Blocks; Organic Building Blocks. Its EINECS number is 239-230-3. This chemical's molecular formula is C₁₅H₂₄ and molecular weight is 204.35. What's more, its systematic name is 1,3-di-tert-butyl-5-methylbenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides.

Physical properties of Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl- are: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.06; (4)ACD/LogD (pH 7.4): 6.06; (5)ACD/BCF (pH 5.5): 23540.09; (6)ACD/BCF (pH 7.4): 23540.09; (7)ACD/KOC (pH 5.5): 46873.36; (8)ACD/KOC (pH 7.4): 46873.36; (9)#Freely Rotating Bonds: 2 ; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 67.85 cm³; (12)Molar Volume: 239 cm³; (13)Polarizability: 26.89×10^-24cm³; (14)Surface Tension: 26.2 dyne/cm; (15)Density: 0.854 g/cm³; (16)Flash Point: 91.1 °C; (17)Enthalpy of Vaporization: 46.15 kJ/mol; (18)Boiling Point: 244 °C at 760 mmHg; (19)Vapour Pressure: 0.0486 mmHg at 25°C.

Preparation of Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-: this chemical can be prepared by methylbenzene and 2-chloro-2-methyl-propane at the ambient temperature. This reaction will need reagent AlCl₃. The yield is about 50%.

Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl- can be prepared by methylbenzene and 2-chloro-2-methyl-propane at the ambient temperature

Uses of Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-: it can be used to produce 3,5-di-tert-butyl-benzoic acid. It will need reagents KMnO₄, aqueous KOH, pyridine. The yield is about 57%.

Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl- can be used to produce 3,5-di-tert-butyl-benzoic acid

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(cc1C(C)(C)C)C(C)(C)C)C
(2)InChI: InChI=1S/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3
(3)InChIKey: WIXDSJRJFDWTNY-UHFFFAOYSA-N