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CAS No.: | 1687-65-6 |
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Name: | 5-ethyl-o-cresol |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H12O |
Molecular Weight: | 136.194 |
Synonyms: | o-Cresol,5-ethyl- (7CI,8CI);2-Methyl-5-ethylphenol;5-Ethyl-2-methylphenol;5-Ethyl-o-cresol; |
EINECS: | 216-876-4 |
Density: | 0.994 g/cm3 |
Melting Point: | 15°C |
Boiling Point: | 225.4 °C at 760 mmHg |
Flash Point: | 99.4 °C |
The Phenol, 5-ethyl-2-methyl-, with the CAS registry number of 1687-65-6, is also known as 5-Ethyl-o-cresol. Its EINECS registry number is 216-876-4. This chemical's molecular formula is C9H12O and molecular weight is 136.19098. What's more, its IUPAC name is 5-Ethyl-2-methylphenol.
Physical properties about Phenol, 5-ethyl-2-methyl- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.87; (6)ACD/BCF (pH 7.4): 99.77; (7)ACD/KOC (pH 5.5): 939.29; (8)ACD/KOC (pH 7.4): 938.39; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 42.5 cm3; (15)Molar Volume: 136.9 cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Density: 0.994 g/cm3; (18)Flash Point: 99.4 °C; (19)Enthalpy of Vaporization: 48.07 kJ/mol; (20)Boiling Point: 225.4 °C at 760 mmHg; (21)Vapour Pressure: 0.058 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(ccc1C)CC
(2) InChI: InChI=1/C9H12O/c1-3-8-5-4-7(2)9(10)6-8/h4-6,10H,3H2,1-2H3
(3) InChIKey: AYGDIAGADYTJRY-UHFFFAOYAA