2-Methylbenzoxazole
Synonym(s):2-Methyl-1,3-benzoxazole;2-Methyl-4,5-benzoxazole
- CAS NO.：95-21-6
- Empirical Formula: C8H7NO
- Molecular Weight: 133.15
- MDL number: MFCD00005771
- EINECS: 202-399-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:07:02
What is 2-Methylbenzoxazole?
Chemical properties
clear colourless to yellow liquid
Chemical properties
Yellowish liquid, solidifying in the cold.
Insoluble in water, soluble in alcohol, miscible with most oils.
Very sweet odor of rather gassy-pungent
character when undiluted, becoming floralsweet, heavy, when diluted.
The Uses of 2-Methylbenzoxazole
2-Methylbenzoxazole has been used in synthesis of bis-styryl dyes. It is also used in medicine and for the synthesis of other organic compounds.
Definition
ChEBI: A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a methyl group at position 2.
Production Methods
2-Methylbenzoxazole can be produced from ortho-Aminophenol plus Acetic anhydride by heating and distilling.
Aroma threshold values
High strength odor, tobacco type; recommend smelling in a 0.10% solution or less.
Synthesis Reference(s)
Tetrahedron Letters, 37, p. 675, 1996 DOI: 10.1016/0040-4039(95)02240-6
Biochem/physiol Actions
Odor at 1.0%: Musty, nutty pecan, almond and pistachio-like, tobacco, vanilla-like with brown roasted burnt rubber and cooked rice-like nuances.Taste at 2.0ppm: Musty, nutty, vanilla and rice-like.
Properties of 2-Methylbenzoxazole
| Melting point: | 5-10 °C(lit.) |
| Boiling point: | 178 °C(lit.) |
| Density | 1.121 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 4398 | 2-METHYL-4,5-BENZOXAZOLE |
| Flash point: | 167 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | clear liquid |
| pka | 1.58±0.10(Predicted) |
| color | Colorless to Light yellow to Light orange |
| Specific Gravity | 1.121 |
| Odor | at 0.10 % in dipropylene glycol. tobacco burnt phenolic meaty powdery capers |
| Water Solubility | Not miscible in water. |
| JECFA Number | 1557 |
| BRN | 112297 |
| CAS DataBase Reference | 95-21-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoxazole, 2-methyl-(95-21-6) |
| EPA Substance Registry System | Benzoxazole, 2-methyl- (95-21-6) |
Safety information for 2-Methylbenzoxazole
| 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 for 2-Methylbenzoxazole
| InChIKey | BJEBCCKIVRWKGV-UHFFFAOYSA-N |
New Products
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