2-Methoxytoluene - ≥98%(GC) , CAS No.578-58-5

CAS: 578-58-5 Cat. No.: M158113 Molecular Weight: 122.17 Beilstein Registry Number: 6352 EC Number: 209-426-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
Methyl o-methylphenyl ether | A831642 | PD158359 | Methyl o-tolyl ether | o-Methylanisole | O-Methyl-Anisole | 2-Methylanisole, 99% | BENZENE, 1-METHOXY-2-METHYL- | Methyl-o-cresol | o-Methoxytoluene | FEMA No. 2680 | ortho-methylanisole | PS-6207 | Aniso
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
M158113-5ml
1
$9.90
25ml
M158113-25ml
5
$11.90
100ml
M158113-100ml
5
$23.90
500ml
M158113-500ml
1
$71.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

 Application:

The catalytic system of disubstituted aromatics was optimized for the 2-methylanisole reduction by a proper choice of the amine/Rh ratio which should be high enough to stabilize very small colloidal rhodium particles and low enough to avoid deactivation. The total synthesis of (±)-heliannuol D and its epimer has been completed in 9 steps and 12% overall yield from 2-methylanisole. The thermal activation of 2-methylanisole (60°C) by the Ir (III) complex TpMe2Ir (C6H5) 2 (N2)(1; TpMe2= hydrotris (3, 5-dimethylpyrazolyl) borate) yielded a mixture of hydride complexes. The total synthesis of the phenolic sesquiterpene mutisianthol has been accomplished in 12 steps from the readily available 2-methylanisole. The catalytic system was optimized for the 2-methylanisole reduction by a proper choice of the amine/Rh ratio which should be high enough to stabilize very small colloidal rhodium particles and low enough to avoid deactivation.

Specifications

Synonyms
Methyl o-methylphenyl ether | A831642 | PD158359 | Methyl o-tolyl ether | o-Methylanisole | O-Methyl-Anisole | 2-Methylanisole, 99% | BENZENE, 1-METHOXY-2-METHYL- | Methyl-o-cresol | o-Methoxytoluene | FEMA No. 2680 | ortho-methylanisole | PS-6207 | Aniso
Specifications & Purity
≥98%(GC)
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid504753508
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504753508
Canonical SmilesCC1=CC=CC=C1OC
IUPAC Name1-methoxy-2-methylbenzene
InChIKeyDTFKRVXLBCAIOZ-UHFFFAOYSA-N
INCHI1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
Isomeric SMILES CC1=CC=CC=C1OC
WGK Germany 3
UN Number 1993
Packing Group III
Molecular Weight 122.17
Beilstein 6352
Reaxy-Rn 1857415
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857415&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Toluenes  Alkyl aryl ethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Methoxybenzene - Anisole - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeDateItem
I2502371Certificate of AnalysisAug 22, 2025 M158113
I2502491Certificate of AnalysisAug 22, 2025 M158113
I2126349Certificate of AnalysisJul 10, 2025 M158113
I2124309Certificate of AnalysisJul 10, 2025 M158113
G1717001Certificate of AnalysisFeb 08, 2025 M158113
D2425455Certificate of AnalysisApr 16, 2024 M158113
D2425456Certificate of AnalysisApr 16, 2024 M158113
E2028069Certificate of AnalysisMar 12, 2024 M158113
K2201739Certificate of AnalysisOct 14, 2022 M158113
K2201740Certificate of AnalysisOct 14, 2022 M158113
K2201761Certificate of AnalysisOct 14, 2022 M158113

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Chemical and Physical Properties
SolubilityInsoluble in water.
Refractive Index1.516
Flash Point(°F)125.6 °F
Flash Point(°C)52 °C
Boil Point(°C)170-172 °C
Molecular Weight122.160 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass122.073 Da
Monoisotopic Mass122.073 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Kang Yuan, Hao Li, Rui Zuo, Baiqin Gan, Chengjia Xiong.  (2023)  Highly Sensitive Detection of Isomers through Dynamic Reflection Spectroscopy Based on Simple Amorphous Photonic Crystals.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c04812]
Solution Calculators
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