5-Methyl-2-thiophenecarboxaldehyde (CAS 13679-70-4) — formula C6H6OS, molecular weight 126.01 g/mol; category organic chemicals.
| CAS Number | 13679-70-4 |
|---|---|
| Molecular Formula | C6H6OS |
| Molecular Weight | 126.01 g/mol |
| Boiling Point | 113-114 °C (25 mm Hg) |
| LogP | 1.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Thiophenecarboxaldehyde, 5-methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Thiophenecarboxaldehyde, 5-methyl-: ACTIVE.
5-Methyl-2-thiophenecarboxaldehyde is a carbon-based organic compound with CAS registry number 13679-70-4 and molecular formula C6H6OS (molecular weight 126.01 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13679-70-4
Its molecular formula C6H6OS comprises 6 C, 6 H, 1 O, 1 S atoms.
Also known as: 5-Methyl-2-thiophenecarboxaldehyde · 5-甲基-2-噻吩甲醛
Category: organic chemicals
The CAS registry number of 5-Methyl-2-thiophenecarboxaldehyde is 13679-70-4.
Molecular formula C6H6OS, molecular weight 126.01 g/mol.
It is also registered under: 5-Methyl-2-thiophenecarboxaldehyde, 5-甲基-2-噻吩甲醛.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Thiophenecarboxaldehyde, 5-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 5-Methyl-2-thiophenecarboxaldehyde (CAS 13679-70-4), compiled from public chemistry databases.
| CAS Registry Number | 13679-70-4 |
|---|---|
| PubChem CID | 61663 |
| Molecular formula | C6H6OS |
| Molecular weight | 126.01 g/mol |
| IUPAC name | 5-methylthiophene-2-carbaldehyde |
| InChIKey | VAUMDUIUEPIGHM-UHFFFAOYSA-N |
| UNII (FDA) | UDF14S002L |
| ChEBI ID | CHEBI:179842 |
| FEMA number | 3209 |
| JECFA number | 1050 |
| Molecular Weight | 126.18 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 126.01393598 |
| Monoisotopic Mass | 126.01393598 |
| Topological Polar Surface Area | 45.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 113-114 °C (25 mm Hg) |
|---|---|
| Density | 1.168-1.172 |
| Refractive Index | 1.574-1.586 |
13679-70-4; 5-METHYL-2-THIOPHENECARBOXALDEHYDE; 5-Methylthiophene-2-carbaldehyde; 5-Methylthiophene-2-carboxaldehyde; 2-Thiophenecarboxaldehyde, 5-methyl-; 2-Formyl-5-methylthiophene; 5-Methyl-2-formylthiophene; 5-Methylthiophene-2-aldehyde; bread thiophene; 5-Methyl-2-thiophencarboxaldehyde; FEMA No. 3209; DTXSID0047169; thiophene, 2-Methyl, 5-formyl; 5-Methyl-2-carboxaldehyde-thiophene; EINECS 237-178-6; Thiophen-2-carboxaldehyde, 5-methyl
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 4.8% (66 / 1383) |
| GHS notification summary | 4.8% (66 / 1383) |
|---|---|
| Reported hazard statements | H302 (93%) |
This chemical does not meet GHS hazard criteria for 4.8% (66 of 1383) of reports.
H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]
5-Methyl-2-thiophenecarboxaldehyde is identified by CAS 13679-70-4, molecular formula C6H6OS and molecular weight 126.01 g/mol. UNII UDF14S002L; ChEBI 179842; InChIKey VAUMDUIUEPIGHM-UHFFFAOYSA-N. Boiling Point: 113-114 °C (25 mm Hg); Density: 1.168-1.172; Refractive Index: 1.574-1.586.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-甲基-2-噻吩甲醛