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| CAS No.: | 1007-26-7 |
|---|---|
| Name: | NEOPENTYLBENZENE |
| Molecular Structure: | |
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| Formula: | C11H16 |
| Molecular Weight: | 148.248 |
| Synonyms: | Benzene,neopentyl- (6CI,7CI,8CI);(2,2-Dimethylpropyl)benzene;1-Phenyl-2,2-dimethylpropane;Neopentylbenzene; |
| Density: | 0.862 g/cm3 |
| Melting Point: | -44.72°C (estimate) |
| Boiling Point: | 185.5 °C at 760 mmHg |
| Flash Point: | 50.6 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 0.00000 |
| LogP: | 3.27520 |
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Specification
The Benzene,(2,2-dimethylpropyl)- is an organic compound with the formula C11H16. The IUPAC name of this chemical is 2,2-dimethylpropylbenzene. With the CAS registry number 1007-26-7, it is also named as (1,1-Dimethylethyl)methylbenzene. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzene,(2,2-dimethylpropyl)- are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.44; (3)ACD/LogD (pH 7.4): 4.44; (4)ACD/BCF (pH 5.5): 1389.47; (5)ACD/BCF (pH 7.4): 1389.47; (6)ACD/KOC (pH 5.5): 6183.72; (7)ACD/KOC (pH 7.4): 6183.72; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.489; (10)Molar Refractivity: 49.66 cm3; (11)Molar Volume: 171.8 cm3; (12)Polarizability: 19.68×10-24cm3; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.862 g/cm3; (15)Flash Point: 50.6 °C; (16)Enthalpy of Vaporization: 40.44 kJ/mol; (17)Boiling Point: 185.5 °C at 760 mmHg; (18)Vapour Pressure: 0.953 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2-dimethyl-1-phenyl-propan-1-one. This reaction will need reagent yellow ammonium sulfide. The reaction temperature is 205 °C.
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Uses of Benzene,(2,2-dimethylpropyl)-: it can be used to produce 1-bromo-4-neopentyl-benzene. It will need reagent Br2, aq. AcOH.
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You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CC(C)(C)C
(2)InChI: InChI=1/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
(3)InChIKey: CJGXJKVMUHXVHL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
(5)Std. InChIKey: CJGXJKVMUHXVHL-UHFFFAOYSA-N