1-methoxy-2-methylbenzene

• ChemBase ID: 92712
• Molecular Formular: C8H10O
• Molecular Mass: 122.1644
• Monoisotopic Mass: 122.07316494
• SMILES: O(c1c(cccc1)C)C
• Canonical SMILES: COc1ccccc1C
• InChI: InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
• InChIKey: DTFKRVXLBCAIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-methylbenzene
• IUPAC Traditional name: 2-methylanisole
• Synonyms: 1-Methoxy-2-methylbenzene; 2-Methylanisole; o-Cresyl methyl ether; 2-Methoxytoluene; 2-Methylanisole 99%; o-METHYLANISOLE; 2-甲基苯甲醚

Database IDs

• CAS Number: 578-58-5
• EC Number: 209-426-3
• MDL Number: MFCD00008373
• Beilstein Number: 1857415
• PubChem SID: 24901245; 162079410; 24896782
• PubChem CID: 33637
• FEMA ID: 2680
• Council of Europe Number: 187
• Flavis Number: 4.014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.328996
• LogD (pH = 7.4): 2.328996
• Log P: 2.328996
• Molar Refractivity: 37.5624 cm^3
• Polarizability: 14.625748 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -34°C
• Boiling Point: 170-172 °C(lit.); 170-172°C; 170-172°C
• Flash Point: 125.6 °F; 51°C(123°F); 52 °C; 52°C
• Density: 0.985; 0.985 g/mL at 25 °C(lit.)
• Refractive Index: 1.5160; 1.5170; n20/D 1.516(lit.)
• Organoleptic: floral; earthy; walnut

Safety Information

• Storage Warning: Flammable
• UN Number: 1993; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• Safety Statements: 23
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Regulation Compliance: FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; 95+%; 99%
• Grade: Kosher; NI
• Linear Formula: CH3C6H4OCH3

DETAILS

MP Biomedicals - 05207177

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W268003

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum

Sigma Aldrich - M29355

Packaging
100 mL in glass bottle