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6161-62-2

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Basic Information
CAS No.: 6161-62-2
Name: 2-ethyl-m-cresol
Article Data: 5
Molecular Structure:
Molecular Structure of 6161-62-2 (2-ethyl-m-cresol)
Formula: C9H12O
Molecular Weight: 136.194
Synonyms: m-Cresol,2-ethyl- (7CI);2-Ethyl-3-methylphenol;2-Ethyl-m-cresol;
EINECS: 228-188-1
Density: 0.994 g/cm3
Boiling Point: 220.9 °C at 760 mmHg
Flash Point: 96.9 °C
PSA: 20.23000
LogP: 2.26300
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Specification

This chemical is called Phenol, 2-ethyl-3-methyl-, and its systematic name is 2-Ethyl-m-cresol. With the molecular formula of C9H12O, its molecular weight is 136.19. The CAS registry number of this chemical is 6161-62-2. Additionally, its product category is Phenyl.

Other characteristics of the Phenol, 2-ethyl-3-methyl- can be summarised as followings: (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): 938.32; (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)Polarizability: 16.85×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 0.994 g/cm3; (19)Flash Point: 96.9 °C; (20)Enthalpy of Vaporization: 47.6 kJ/mol; (21)Boiling Point: 220.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0744 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Oc1cccc(c1CC)C
2.InChI: InChI=1/C9H12O/c1-3-8-7(2)5-4-6-9(8)10/h4-6,10H,3H2,1-2H3
3.InChIKey:
OCKYMBMCPOAFLL-UHFFFAOYAI