4,5,6,7-tetrahydro-3,6-dimethylbenzofuran (CAS 494-90-6) — formula C10H14O, molecular weight 150.10 g/mol; category organic chemicals.
| CAS Number | 494-90-6 |
|---|---|
| Molecular Formula | C10H14O |
| Molecular Weight | 150.10 g/mol |
| Melting Point | 86.00 °C. @ 760.00 mm Hg |
| Boiling Point | 80.00 to 82.00 °C. @ 13.00 mm Hg |
| LogP | 3 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzofuran, 4, 5, 6, 7-tetrahydro-3, 6-dimethyl-: 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: Benzofuran, 4, 5, 6, 7-tetrahydro-3, 6-dimethyl-: ACTIVE.
4,5,6,7-tetrahydro-3,6-dimethylbenzofuran is a carbon-based organic compound with CAS registry number 494-90-6 and molecular formula C10H14O (molecular weight 150.10 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 494-90-6
Its molecular formula C10H14O comprises 10 C, 14 H, 1 O atoms.
Also known as: 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran · 薄荷呋喃
Category: organic chemicals
The CAS registry number of 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran is 494-90-6.
Molecular formula C10H14O, molecular weight 150.10 g/mol.
It is also registered under: 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran, 薄荷呋喃.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzofuran, 4, 5, 6, 7-tetrahydro-3, 6-dimethyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran (CAS 494-90-6), compiled from public chemistry databases.
| CAS Registry Number | 494-90-6 |
|---|---|
| PubChem CID | 329983 |
| Molecular formula | C10H14O |
| Molecular weight | 150.10 g/mol |
| IUPAC name | 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
| InChIKey | YGWKXXYGDYYFJU-UHFFFAOYSA-N |
| UNII (FDA) | LK024V9U3C |
| ChEBI ID | CHEBI:50542 |
| FEMA number | 3235 |
| JECFA number | 758 |
| Molecular Weight | 150.22 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.104465066 |
| Monoisotopic Mass | 150.104465066 |
| Topological Polar Surface Area | 13.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 80.00 to 82.00 °C. @ 13.00 mm Hg |
|---|---|
| Boiling Point | 196 °C; 95 °C (20 mm Hg); 80 °C (18 mm Hg); 90-92 °C (3 mm Hg) |
| Melting Point | 86.00 °C. @ 760.00 mm Hg |
| Density | 0.960-0.970 |
| Refractive Index | 1.481-1.486 |
Menthofuran; 494-90-6; 3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran; 3,9-Epoxy-p-mentha-3,8-diene; BENZOFURAN, 4,5,6,7-TETRAHYDRO-3,6-DIMETHYL-; p-Mentha-3,8-diene, 3,9-epoxy-; DTXSID9025534; FEMA No. 3235; 4,5,6,7-Tetrahydro-3,6-dimethylcoumarone; LK024V9U3C; DTXCID005534; CHEBI:50542; RefChem:156491; Menthofurane; 3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran; 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Savory No safety concern at current levels of intake when used as a flavouring agent TRS 901-JECFA 55/56 |
|---|---|
| GHS notification summary | 0.1% (1 / 1646) |
| GHS notification summary | 0.1% (1 / 1646) |
|---|---|
| Reported hazard statements | H302, H315, H319 (99.6%), H411, H301, H351, H372 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1646) of reports.
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
4,5,6,7-tetrahydro-3,6-dimethylbenzofuran is identified by CAS 494-90-6, molecular formula C10H14O and molecular weight 150.10 g/mol. UNII LK024V9U3C; ChEBI 50542; InChIKey YGWKXXYGDYYFJU-UHFFFAOYSA-N. Boiling Point: 80.00 to 82.00 °C. @ 13.00 mm Hg; Boiling Point: 196 °C; 95 °C (20 mm Hg); 80 °C (18 mm Hg); 90-92 °C (3 mm Hg); Melting Point: 86.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 薄荷呋喃