95-21-6
Product Name:
2-Methylbenzoxazole
Formula:
C8H7NO
Synonyms:
2-Methyl-1,3-benzoxazole;2-Methyl-4,5-benzoxazole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dark yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Melting Point | 9.5 °C |
| Solubility | Insoluble in water |
| Density | 1.109-1.115 |
| Refractive Index | 1.544-1.550 |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 133.15 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 133.052763847 g/mol |
| Monoisotopic Mass | 133.052763847 g/mol |
| Topological Polar Surface Area | 26 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-methylbenzoxazole is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a methyl group at position 2. It has a role as a fluorochrome and a flavouring agent. It derives from a hydride of a 1,3-benzoxazole.