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CAS No.: | 68039-47-4 |
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Name: | PETIOLE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C11H16O |
Molecular Weight: | 164.247 |
Synonyms: | 2-Phenylethylisopropyl ether;Isopropyl phenethyl ether;[2-(1-Methylethoxy)ethyl]benzene;[2-(Propan-2-yloxy)ethyl]benzene; |
EINECS: | 268-262-0 |
Density: | 0.92 g/cm3 |
Boiling Point: | 209.4 °C at 760 mmHg |
Flash Point: | 78.9 °C |
Appearance: | Colourless to pale yellow liquid |
PSA: | 9.23000 |
LogP: | 2.65410 |
The Benzene,[2-(1-methylethoxy)ethyl]-, with the CAS registry number 68039-47-4, is also known as Isopropyl phenethyl ether. Its EINECS number is 268-262-0. This chemical's molecular formula is C11H16O and molecular weight is 164.24. What's more, its systematic name is [2-(propan-2-yloxy)ethyl]benzene.
Physical properties of Benzene,[2-(1-methylethoxy)ethyl]- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 116.24; (6)ACD/BCF (pH 7.4): 116.24; (7)ACD/KOC (pH 5.5): 1047.1; (8)ACD/KOC (pH 7.4): 1047.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 51.4 cm3; (15)Molar Volume: 178.5 cm3; (16)Polarizability: 20.37×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 42.74 kJ/mol; (21)Boiling Point: 209.4 °C at 760 mmHg; (22)Vapour Pressure: 0.294 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CCc1ccccc1)C(C)C
(2)InChI: InChI=1S/C11H16O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
(3)InChIKey: FMPXLXBVYDFXIC-UHFFFAOYSA-N