Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)- supplier

Name
2-METHYL-4-TERT-OCTYLPHENOL
EINECS 218-735-2
CAS No. 2219-84-3
Density 0.93 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₄O
Boiling Point 304.8 ºC at 760 mmHg
Molecular Weight 220.355
Flash Point 141.8 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Cresol,4-(1,1,3,3-tetramethylbutyl)- (6CI,7CI,8CI);2-Methyl-4-(1,1,3,3-tetramethylbutyl)phenol;2-Methyl-4-tert-octylphenol;4-(1,1,3,3-Tetramethylbutyl)-o-cresol;NSC 66444;
PSA 20.23000
LogP 4.41440

Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)- Specification

The Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)-, with the CAS registry number 2219-84-3, is also known as 2-Methyl-4-tert-octylphenol. This chemical's molecular formula is C₁₅H₂₄O and molecular weight is 220.35. What's more, its systematic name is 2-Methyl-4-(2,4,4-trimethylpentan-2-yl)phenol and its EINECS number is 218-735-2.

Physical properties of Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)- are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7351.32; (6)ACD/BCF (pH 7.4): 7346.03; (7)ACD/KOC (pH 5.5): 20376.73; (8)ACD/KOC (pH 7.4): 20362.06; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 69.84 cm³; (15)Molar Volume: 236.9 cm³; (16)Polarizability: 27.68×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.93 g/cm³; (19)Flash Point: 141.8 °C; (20)Enthalpy of Vaporization: 56.69 kJ/mol; (21)Boiling Point: 304.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000475 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-phenol and 2,4,4-trimethyl-pent-1-ene at room temperature. This reaction will need reagent AlCl₃ with the reaction time of 30 min. The yield is about 56%.

Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)- can be prepared by 2-methyl-phenol and 2,4,4-trimethyl-pent-1-ene at room temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)O
(2)InChI: InChI=1S/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3
(3)InChIKey: DYKCNMUCTREDMF-UHFFFAOYSA-N

Product Name

2-METHYL-4-TERT-OCTYLPHENOL

Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)- Specification

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