Benzene,1-ethoxy-4-methyl- supplier

Name
4-METHYLPHENETOLE
EINECS 210-746-0
CAS No. 622-60-6
Article Data44
CAS DataBase
Density 0.931 g/cm³
Solubility
Melting Point 139-141 °C
Formula C₉H₁₂O
Boiling Point 191.2 °C at 760 mmHg
Molecular Weight 136.194
Flash Point 70 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenetole,p-methyl- (6CI,7CI,8CI);1-Ethoxy-4-methylbenzene;4-Ethoxytoluene;4-Methyl-1-ethoxybenzene;4-Methylphenetole;Ethyl p-tolyl ether;NSC 6259;p-Cresol ethyl ether;p-Cresyl ethyl ether;p-Ethoxytoluene;p-Methylethoxybenzene;p-Methylphenetole;
PSA 9.23000
LogP 2.39370

Benzene,1-ethoxy-4-methyl- Specification

The Benzene, 1-ethoxy-4-methyl-, with the CAS registry number of 622-60-6, is also known as 4-Methylphenetole and p-Ethoxytoluene. It belongs to the product category of Phenetole. Its EINECS registry number is 210-746-0. This chemical's molecular formula is C₉H₁₂O and molecular weight is 136.19. What's more, its IUPAC name is 1-Ethoxy-4-methylbenzene.

Physical properties about Benzene, 1-ethoxy-4-methyl- are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 139.66; (6)ACD/BCF (pH 7.4): 139.66; (7)ACD/KOC (pH 5.5): 1194.11; (8)ACD/KOC (pH 7.4): 1194.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 42.38 cm³; (15)Molar Volume: 146.2 cm³; (16)Polarizability: 16.8×10^-24 cm³; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 0.931 g/cm³; (19)Flash Point: 70 °C; (20)Enthalpy of Vaporization: 41 kJ/mol; (21)Boiling Point: 191.2 °C at 760 mmHg; (22)Vapour Pressure: 0.721 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Ethoxy-benzaldehyde at ambient temperature. This reaction needs reagents KMnO₄, Et₃N, 6M aq. H₂SO₄. Meanwhile, it needs solvent CHCl₃. The yield is about 70 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C)CC
(2) InChI: InChI=1/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
(3) InChIKey: WSWPHHNIHLTAHB-UHFFFAOYAC

Product Name

4-METHYLPHENETOLE

Benzene,1-ethoxy-4-methyl- Specification

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