Phenol,5-ethyl-2-methyl- supplier

Name
5-ethyl-o-cresol
EINECS 216-876-4
CAS No. 1687-65-6
Article Data10
CAS DataBase
Density 0.994 g/cm³
Solubility
Melting Point 15°C
Formula C₉H₁₂O
Boiling Point 225.4 °C at 760 mmHg
Molecular Weight 136.194
Flash Point 99.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Cresol,5-ethyl- (7CI,8CI);2-Methyl-5-ethylphenol;5-Ethyl-2-methylphenol;5-Ethyl-o-cresol;
PSA
LogP

Phenol,5-ethyl-2-methyl- Specification

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

Product Name

5-ethyl-o-cresol

Phenol,5-ethyl-2-methyl- Specification

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