-
Name
BENZYL ETHYL ETHER
- EINECS 208-714-6
- CAS No. 539-30-0
- Article Data131
- CAS DataBase
- Density 0.938 g/cm3
- Solubility Insoluble in water; soluble in oils ,soluble in ethanol
- Melting Point 2.5°C
- Formula C9H12O
- Boiling Point 185 °C at 760 mmHg
- Molecular Weight 136.194
- Flash Point 52.9 °C
- Transport Information
- Appearance colourless oily liquid with a powerful, fruity, rather sharp aroma
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Ether,benzyl ethyl (6CI,7CI,8CI);Benzyl ethyl ether;Benzyl ethyl oxide;Ethylbenzyl ether;NSC 8066;
- PSA 9.23000
- LogP 2.22310
Benzene,(ethoxymethyl)- 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
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