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| CAS No.: | 539-30-0 |
|---|---|
| Name: | BENZYL ETHYL ETHER |
| Molecular Structure: | |
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| Formula: | C9H12O |
| Molecular Weight: | 136.194 |
| Synonyms: | Ether,benzyl ethyl (6CI,7CI,8CI);Benzyl ethyl ether;Benzyl ethyl oxide;Ethylbenzyl ether;NSC 8066; |
| EINECS: | 208-714-6 |
| Density: | 0.938 g/cm3 |
| Melting Point: | 2.5°C |
| Boiling Point: | 185 °C at 760 mmHg |
| Flash Point: | 52.9 °C |
| Solubility: | Insoluble in water; soluble in oils ,soluble in ethanol |
| Appearance: | colourless oily liquid with a powerful, fruity, rather sharp aroma |
| PSA: | 9.23000 |
| LogP: | 2.22310 |
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Specification
The Benzene,(ethoxymethyl)-, with the CAS registry number 539-30-0, is also known as Ethyl benzyl ether. Its EINECS registry number is 208-714-6. This chemical's molecular formula is C9H12O and molecular weight is 136.19. What's more, both its IUPAC name and systematic name are the same which is called Ethoxymethylbenzene.
Physical properties about Benzene,(ethoxymethyl)- are: (1) ACD/LogP: 2.49; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.49; (4) ACD/LogD (pH 7.4): 2.49; (5) #H bond acceptors: 1; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 3; (8) Polar Surface Area: Å2; (9) Index of Refraction: 1.493; (10) Molar Refractivity: 42.18 cm3; (11) Molar Volume: 145.1 cm3; (12) Surface Tension: 31.3 dyne/cm; (13) Density: 0.938 g/cm3; (14) Flash Point: 52.9 °C; (15) Enthalpy of Vaporization: 40.4 kJ/mol; (16) Boiling Point: 185 °C at 760 mmHg; (17) Vapour Pressure: 0.976 mmHg at 25 °C.
Preparation of Benzene,(ethoxymethyl)-: this chemical can be prepared by Diethoxymethyl-benzene. This reaction needs reagent LiAlH4; AlCl3; Diethyl ether.
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Uses of Benzene,(ethoxymethyl)-: (1) it is used as solvent; (2) it is used to produce other chemicals. For example, it is used to produce Benzoic acid ethyl ester. The reaction occurs with reagent Oxygen; Acrylic acid; Copper (II)-acetate at temperature of 75-80 °C.
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You can still convert the following datas into molecular structure:
(1) SMILES: CCOCc1ccccc1
(2) InChI: InChI=1/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
(3) InChIKey: AXPZDYVDTMMLNB-UHFFFAOYAN