Name: 2-PHENYLPENTANE
SKU: 2719-52-0

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Basic Information

Molecular Structure:
CAS No.:	2719-52-0
Name:	2-PHENYLPENTANE
Article Data:	66

Formula:	C₁₁H₁₆
Molecular Weight:	148.248
Synonyms:	(1-Methylbutyl)benzene;(2-Amyl)benzene;1-Phenyl-1-methylbutane;2-Phenylpentane;
EINECS:	220-324-8
Density:	0.859 g/cm³
Melting Point:	-44.72°C (estimate)
Boiling Point:	192 °C at 760 mmHg
Flash Point:	60.6 °C
Safety:	24/25
PSA:	0.00000
LogP:	3.59020

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Specification

The Benzene,(1-methylbutyl)-, with the CAS registry number 2719-52-0, is also known as sec-Amylbenzene. Its EINECS number is 220-324-8. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₁₁H₁₆ and molecular weight is 148.24. What's more, its systematic name is Pentan-2-ylbenzene. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in a cool and dry place.

Physical properties of Benzene,(1-methylbutyl)- are: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.62; (4)ACD/LogD (pH 7.4): 4.62; (5)ACD/BCF (pH 5.5): 1910.08; (6)ACD/BCF (pH 7.4): 1910.08; (7)ACD/KOC (pH 5.5): 7765.57; (8)ACD/KOC (pH 7.4): 7765.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 49.7 cm³; (15)Molar Volume: 172.5 cm³; (16)Polarizability: 19.7×10^-24 cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.859 g/cm³; (19)Flash Point: 60.6 °C; (20)Enthalpy of Vaporization: 41.07 kJ/mol; (21)Boiling Point: 192 °C at 760 mmHg; (22)Vapour Pressure: 0.696 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-phenyl-pentan-2-ol at the ambient temperature. This reaction will need reagents Me₃SiCl, NaI, CH₃CN and solvent hexane with the reaction time of 24 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
When using it, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1C(CCC)C
(2)InChI: InChI=1/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
(3)InChIKey: LTHAIAJHDPJXLG-UHFFFAOYAP