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1687-64-5

Basic Information
CAS No.: 1687-64-5
Name: 2-ETHYL-6-METHYLPHENOL
Article Data: 32
Molecular Structure:
Molecular Structure of 1687-64-5 (2-ETHYL-6-METHYLPHENOL)
Formula: C9H12O
Molecular Weight: 136.194
Synonyms: o-Cresol,6-ethyl- (7CI,8CI);2-Ethyl-6-methylphenol;6-Ethyl-o-cresol;
Density: 0.994 g/cm3
Melting Point: 48.26°C (estimate)
Boiling Point: 209.8 °C at 760 mmHg
Flash Point: 90.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 20.23000
LogP: 2.26300
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Specification

The Phenol,2-ethyl-6-methyl- is an organic compound with the formula C9H12O. The IUPAC name of this chemical is 2-Ethyl-6-methylphenol. With the CAS registry number 1687-64-5, it is also named as 3-Ethyl-2-hydroxytoluene. The product's category is Aromatic Phenols. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Phenol,2-ethyl-6-methyl- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 99.87; (5)ACD/BCF (pH 7.4): 99.81; (6)ACD/KOC (pH 5.5): 939.29; (7)ACD/KOC (pH 7.4): 938.73; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 42.5 cm3; (14)Molar Volume: 136.9 cm3; (15)Polarizability: 16.85×10-24 cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Density: 0.994 g/cm3; (18)Flash Point: 90.7 °C; (19)Enthalpy of Vaporization: 46.43 kJ/mol; (20)Boiling Point: 209.8 °C at 760 mmHg; (21)Vapour Pressure: 0.137 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
(2)InChIKey: CIRRFAQIWQFQSS-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
(4)Std. InChIKey: CIRRFAQIWQFQSS-UHFFFAOYSA-N