2-Methylbenzoxazole (CAS 95-21-6) — formula C8H7NO, molecular weight 133.15; category organic chemicals.
| CAS Number | 95-21-6 |
|---|---|
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.15 |
| Melting Point | 9.5 °C |
| Boiling Point | 199 °C |
| LogP | 2.2 |
| Applications | Uses: Used as flavoring agent, [JECFA], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzoxazole, 2-methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used as flavoring agent, [JECFA], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzoxazole, 2-methyl-: ACTIVE.
2-Methylbenzoxazole is a carbon-based organic compound with CAS registry number 95-21-6 and molecular formula C8H7NO (molecular weight 133.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95-21-6
Its molecular formula C8H7NO comprises 8 C, 7 H, 1 N, 1 O atoms.
Also known as: 2-Methylbenzoxazole · 2-甲基苯并恶唑
Category: organic chemicals
The CAS registry number of 2-Methylbenzoxazole is 95-21-6.
Molecular formula C8H7NO, molecular weight 133.15.
It is also registered under: 2-Methylbenzoxazole, 2-甲基苯并恶唑.
Recorded applications: Uses: Used as flavoring agent, [JECFA], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzoxazole, 2-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-Methylbenzoxazole (CAS 95-21-6), compiled from public chemistry databases.
| CAS Registry Number | 95-21-6 |
|---|---|
| PubChem CID | 7225 |
| Molecular formula | C8H7NO |
| IUPAC name | 2-methyl-1,3-benzoxazole |
| UNII (FDA) | Z0P021V3TI |
| FEMA number | 4398 |
| JECFA number | 1557 |
| Molecular Weight | 133.15 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 133.052763847 |
| Monoisotopic Mass | 133.052763847 |
| Topological Polar Surface Area | 26 |
| Heavy Atom Count | 10 |
| Boiling Point | 199 °C |
|---|---|
| Melting Point | 9.5 °C |
| Density | 1.109-1.115 |
| Refractive Index | 1.544-1.550 |
2-Methylbenzoxazole; 95-21-6; 2-Methyl-1,3-benzoxazole; 2-Methylbenzoxazol; BENZOXAZOLE, 2-METHYL-; 2-Methyl-4,5-benzo-oxazole; NSC-3824; Z0P021V3TI; CHEBI:51603; DTXSID50870432; RefChem:475977; DTXCID90818156; 202-399-9; 2-Methylbenzo[d]oxazole; 2-methyl-benzoxazole; Benzoxazole, methyl-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/153 |
|---|
| Reported hazard statements | H226 (66.7%), H302 (100%), H312 (59.3%), H315 (100%), H318 (32.6%), H319 (67.4%), H332 (59.3%), H335 (99.3%) |
|---|
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
2-Methylbenzoxazole · CAS 95-21-6 · C8H7NO. UNII Z0P021V3TI. Boiling Point: 199 °C; Melting Point: 9.5 °C; Density: 1.109-1.115.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基苯并恶唑