Benzene-1-methoxy-2-methyl

Compound Structure:

Synonyms:

2-Methylanisole;578-58-5;1-Methoxy-2-methylbenzene;o-Methylanisole;2-Methoxytoluene;o-Methoxytoluene;o-Cresyl methyl ether;BENZENE, 1-METHOXY-2-METHYL-;Anisole, o-methyl-;Methyl o-tolyl ether;2-Methylmethoxybenzene;Methyl o-cresyl ether

Compound ID:

NMPC-640

PubChem ID:

33637

Molecular Formula:

C8H10O

Canonical SMILES:

CC1=CC=CC=C1OC

InChIKey:

DTFKRVXLBCAIOZ-UHFFFAOYSA-N

About the compound:

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.

GHS Hazard Statements

• H226 (10.76%): Flammable liquid and vapor [Warning Flammable liquids]

• H302 (89.38%): Harmful if swallowed [Warning Acute toxicity, oral]

Properties:

Chemical and Physical Properties

Property Name	Property Value
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	9.2Å²
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
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
Density	0.983-0.986 (15.5Â°)
Solubility	Insoluble in water, soluble in oils
Vapor Pressure	1.5 [mmHg]

Source: PubChem

Source Species:

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