CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid with a pleasant odor; [Alfa Aesar MSDS] |
---|---|
Boiling Point | 170.00 to 172.00 °C. @ 760.00 mm Hg |
Melting Point | -34.1 °C |
Solubility | Insoluble in water, soluble in oils |
Density | 0.983-0.986 (15.5°) |
Vapor Pressure | 1.5 [mmHg] |
LogP | 2.74 |
Refractive Index | 1.518-1.522 (15.3°) |
Kovats Retention Index | 1000 999.2 983 995.3 986 |
Chemical Classes | Other Classes -> Ethers, Other |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 122.16 g/mol |
---|---|
XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 122.073164938 g/mol |
Monoisotopic Mass | 122.073164938 g/mol |
Topological Polar Surface Area | 9.2 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 80.6 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-methylanisole is a monomethoxybenzene that is o-cresol in which phenolic hydroxy group has been converted to the corresponding methyl ether. A 'green' solvent (b.p. 171 ℃) and food flavour ingredient, it is found in mastic oils, virgin olive oils and frankincense. It has a role as a polar aprotic solvent and a flavouring agent. It is a monomethoxybenzene, a volatile organic compound and a member of toluenes. It is functionally related to an o-cresol.