Basic information
- Name:
Phenol,2-(1,1-dimethylpropyl)-
- CAS No.:
3279-27-4
- Molecular Structure:
- Formula:
- C11H16O
- Molecular Weight:
- 164.24 .
- Synonyms:
- Phenol,o-(1,1-dimethylpropyl)- (5CI);Phenol, o-tert-pentyl- (6CI,7CI,8CI);2-(1,1-Dimethylpropyl)phenol;2-tert-Amylphenol;2-tert-Pentylphenol;o-tert-Amylphenol;o-tert-Pentylphenol;
- EINECS:
- 221-916-9
- Density:
- 0.96 g/cm3
- Boiling Point:
- 234.3 °C at 760 mmHg
- Flash Point:
- 111.2 °C
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Specification
The Phenol,2-(1,1-dimethylpropyl)-, with the CAS registry number 3279-27-4, is also known as 2-(1,1-Dimethylpropyl)phenol. Its EINECS number is 221-916-9. This chemical's molecular formula is C11H16O and molecular weight is 164.24. What's more, its systematic name is 2-(2-methylbutan-2-yl)phenol. 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 light.
Physical properties of Phenol,2-(1,1-dimethylpropyl)- are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/BCF (pH 5.5): 383.04; (5)ACD/KOC (pH 5.5): 2458.59; (6)ACD/KOC (pH 7.4): 2457.32; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 51.15 cm3; (13)Molar Volume: 171 cm3; (14)Polarizability: 20.27×10-24cm3; (15)Surface Tension: 33 dyne/cm; (16)Density: 0.96 g/cm3; (17)Flash Point: 111.2 °C; (18)Enthalpy of Vaporization: 49.01 kJ/mol; (19)Boiling Point: 234.3 °C at 760 mmHg; (20)Vapour Pressure: 0.035 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccccc1C(CC)(C)C
(2)InChI: InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3
(3)InChIKey: BGRKGHSKCFAPCL-UHFFFAOYSA-N