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CAS No.: | 538-68-1 |
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Name: | Phenylpentane |
Article Data: | 149 |
Molecular Structure: | |
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 |
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 C11H16 and 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%.
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%.
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