3-Methylanisole
Names and Identifiers of 3-Methylanisole
CAS Number |
100-84-5 |
|---|---|
EC Number |
202-893-4 |
MDL Number |
MFCD00008395 |
IUPAC Name |
1-methoxy-3-methylbenzene |
InChI |
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3 |
InChIKey |
OSIGJGFTADMDOB-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=CC=C1)OC |
UNII |
UI9I3Y6WTZ |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-Methylanisole
Boiling Point |
175-176 ºC |
|---|---|
BRN |
907023 |
Density |
0.969 |
Exact Mass |
122.073166 |
Flash Point |
54 ºC |
Index of Refraction |
1.512-1.514 |
LogP |
2.59 |
Melting Point |
-47ºC |
Molecular Formula |
C8H10O |
Molecular Weight |
122.164 |
Odor Threshold |
0.0021ppm |
PSA |
9.23000 |
Stability |
Stable. Flammable. Incompatible with strong oxidizing agents. |
Storage condition |
Flammables area |
Vapour Pressure |
1.5 [mmHg] |
Water Solubility |
Soluble in alcohol and insoluble in water. |
Safety Information of 3-Methylanisole
Applications of 3-Methylanisole
3-Methylanisole has diverse applications across several industries:
- Chemical Intermediates: It is widely used in the production of dyes, pharmaceuticals, and agrochemicals.
- Fragrance Industry: Its pleasant odor makes it suitable for use in perfumes and scented products.
- Solvent: It serves as a solvent for various organic compounds due to its chemical properties.
Interaction Studies of 3-Methylanisole
Studies have focused on the interaction of 3-methylanisole with various enzymes and microorganisms. For example, its conversion by cytochrome P450 enzymes illustrates its potential for biotechnological applications in producing flavor compounds like vanillin. Additionally, its combustion behavior has been analyzed in the context of biomass pyrolysis oils, revealing insights into its reactivity compared to other methylanisole isomers.
Biological Activity of 3-Methylanisole
Research indicates that 3-methylanisole exhibits biological activity, particularly in microbial metabolism. For instance, certain bacterial strains can convert 3-methylanisole into valuable products like vanillin, highlighting its potential in biotransformation processes. Its odor profile also suggests potential applications in perfumery and flavoring agents.
Physical sample testing spectrum (NMR) of 3-Methylanisole
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