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2-Methylanisole

2-Methylanisole structure

CAS No:
578-58-5
Formula:
C8H10O
Chemical Name:
2-Methylanisole
Synonyms:
Benzene,1-methoxy-2-methyl-;Anisole,o-methyl-;1-Methoxy-2-methylbenzene;o-Cresyl methyl ether;o-Methylanisole;Methyl o-cresyl ether;Methyl o-tolyl ether;2-Methylanisole;o-Methoxytoluene;2-Methoxytoluene;o-Cresol methyl ether;Methyl o-methylphenyl ether;2-Methyl-1-methoxybenzene;2-Cresol methyl ether;NSC 6253;NK 409
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

o-Methylanisole has a pungent, warm, floral odor with earthy, walnut undertones. It has a sweet, fruity, nut-like flavor at low levels. clear colorless to light yellow liquid

Liquid|Colourless liquid, Pungent-floral, warm, but almost grassy note

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 derives from an o-cresol.

2-Methylanisole Basic Attributes

Molecular Weight：

122.167

Exact Mass：

122.16

EC Number：

209-426-3

UNII：

09G73SL17K

NSC Number：

6253

DSSTox ID：

DTXSID9060368

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.7

Appearance：

Liquid

Density：

0.9798 g/cm³

Melting Point：

-34.1 °C

Boiling Point：

171 °C

Flash Point：

51.7±0.0 °C

Refractive Index：

1.494

Water Solubility：

H2O: immiscible

Peroxide Forming Chemical：

o-Methyl anisole|D*: Other compounds that may form peroxides|No amount of peroxides were found in new commerically available containers|Removal of Peroxides from Ethers with Cerous Hydroxide

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

1993

wgk germany：

hazard class code：

safety instructions：

S16

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (10.82%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1452 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-methoxytoluene

2-Methylanisole Use and Manufacturing

Manufacturing Info：

Benzene, 1-methoxy-2-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:122.16
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:122.073164938
Monoisotopic Mass:122.073164938
Topological Polar Surface Area:9.2
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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