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O-Methylanisole

CAT: 0286-M11510-03Size: 500 gDry Ice: NoHazardous: Yes
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CAT#:0286-M11510-03Size:500 g
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CAS Number
578-58-5
Synonyms
1-Methoxy-2-methylbenzene; 2-Methoxytoluene; o-Cresyl methyl ether; Methyl o-tolyl ether
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008373
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Methylanisole

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 C) and food flavour ingredient, it is found in mastic oils, virgin olive oils and frankincense. It has a role as a flavouring agent and a polar aprotic solvent. It is a volatile organic compound, a monomethoxybenzene and a member of toluenes. It is functionally related to an o-cresol.

CAS Number578-58-5
PubChem CID33637
IUPAC Name1-methoxy-2-methylbenzene
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP2.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CC1=CC=CC=C1OC
InChI
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
InChIKey
DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylanisole
CAS: 578-58-5
CID: 33637
Formula: C8H10O
MW: 122.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight122.16
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes