CAS No.538-68-1,Phenylpentane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	538-68-1
Name:	Phenylpentane
Article Data:	149

Formula:	C₁₁H₁₆
Molecular Weight:	148.248
Synonyms:	1-Phenyl-n-pentane;1-Phenylpentane;Amylbenzene;NSC 73982;Pentane, 1-phenyl-;Pentylbenzene;n-Amylbenzene;n-Pentylbenzene;
EINECS:	208-701-5
Density:	0.863 g/cm³
Melting Point:	-75 °C(lit.)
Boiling Point:	205.304 °C at 760 mmHg
Flash Point:	70.702 °C
Solubility:	insoluble in water and methanol, mixable with ethanol, diethyl ether, ethyl acetate
Appearance:	clear colourless liquid
Hazard Symbols:	N
Risk Codes:	10-52/53
Safety:	23-24/25-61
Transport Information:	UN 3082 9/PG 3
PSA:	0.00000
LogP:	3.41930

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Specification

The Phenylpentane, with the CAS registry number 538-68-1, is also known as n-Amylbenzene. It belongs to the product categories of Arenes; Building Blocks; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 208-701-5. This chemical's molecular formula is C₁₁H₁₆and molecular weight is 148.25. What's more, its systematic name is Pentylbenzene. This chemical is used as intermediates of liquid crystals. The product should be sealed and stored in a cool and dry places.

Physical properties of Phenylpentane are: (1)ACD/LogP: 4.758; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.76; (4)ACD/LogD (pH 7.4): 4.76; (5)ACD/BCF (pH 5.5): 2431.33; (6)ACD/BCF (pH 7.4): 2431.33; (7)ACD/KOC (pH 5.5): 9229.61; (8)ACD/KOC (pH 7.4): 9229.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 49.701 cm³; (14)Molar Volume: 171.771 cm³; (15)Polarizability: 19.703×10^-24cm³; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.863 g/cm³; (18)Flash Point: 70.702 °C; (19)Enthalpy of Vaporization: 42.351 kJ/mol; (20)Boiling Point: 205.304 °C at 760 mmHg; (21)Vapour Pressure: 0.4 mmHg at 25°C.

Preparation of Phenylpentane: this chemical can be prepared by (+-)-1-phenyl-pentan-1-ol at the ambient temperature. This reaction will need reagents Me₃SiCl, NaI, MeCN and solvent hexane with the reaction time of 24 hours. The yield is about 74%.

Phenylpentane can be prepared by (+-)-1-phenyl-pentan-1-ol at the ambient temperature

Uses of Phenylpentane: it can be used to produce 1-nitro-4-pentyl-benzene at the ambient temperature. It will need reagents HNO₃, acetic anhydride with the reaction time of 2 hours. The yield is about 49%.

Phenylpentane can be used to produce 1-nitro-4-pentyl-benzene at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful to aquatic organisms and may cause long-term adverse effects in the aquatic environment. It is flammable. 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 should avoid releasing it to the environment and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CCCCC
(2)Std. InChI: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
(3)Std. InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N