3-Methylanisole - CAS 100-84-5
Catalog: |
BB000357 |
Product Name: |
3-Methylanisole |
CAS: |
100-84-5 |
Synonyms: |
1-methoxy-3-methylbenzene |
IUPAC Name: | 1-methoxy-3-methylbenzene |
Description: | 3-Methylanisole (CAS# 100-84-5) is a useful intermediate for the pharmaceutical, dye and chemical industry. |
Molecular Weight: | 122.16 |
Molecular Formula: | C8H10O |
Canonical SMILES: | CC1=CC(=CC=C1)OC |
InChI: | InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3 |
InChI Key: | OSIGJGFTADMDOB-UHFFFAOYSA-N |
Boiling Point: | 175-176 °C |
Purity: | 98 % |
Density: | 0.969 g/cm3 |
Appearance: | Colourless liquid |
MDL: | MFCD00008395 |
LogP: | 2.00360 |
Vapor Pressure: | 1.5 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021188829-A1 | Chemical Compounds | 20191220 |
WO-2021124155-A1 | Benzimidazole derivatives | 20191220 |
WO-2021122868-A1 | Compounds for electronic devices | 20191219 |
WO-2021122538-A1 | Aromatic compounds for organic electroluminescent devices | 20191218 |
WO-2021122535-A1 | Materials for organic electroluminescent devices | 20191217 |
PMID | Publication Date | Title | Journal |
22211432 | 20120221 | Assessing the reactivity of free chlorine constituents Cl₂, Cl₂O, and HOCl toward aromatic ethers | Environmental science & technology |
22250136 | 20120109 | Chiral ammonium-capped rhodium(0) nanocatalysts: synthesis, characterization, and advances in asymmetric hydrogenation in neat water | ChemSusChem |
21899283 | 20111007 | Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy | Organic letters |
19598200 | 20090101 | Carbohydrate-derived 1,3-diphosphite ligands as chiral nanoparticle stabilizers: promising catalytic systems for asymmetric hydrogenation | ChemSusChem |
17020377 | 20061012 | Rotationally resolved electronic spectra of 2- and 3-methylanisole in the gas phase: a study of methyl group internal rotation | The journal of physical chemistry. B |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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