2-n-Amylthiophene (CAS 4861-58-9) — formula C9H14S, molecular weight 154.27; category organic chemicals.
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Thiophene, 2-pentyl-: ACTIVE.
2-n-Amylthiophene is a carbon-based organic compound with CAS registry number 4861-58-9 and molecular formula C9H14S (molecular weight 154.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4861-58-9
Its molecular formula C9H14S comprises 9 C, 14 H, 1 S atoms.
Also known as: 2-n-Amylthiophene · 2-Pentylthiophene
Category: organic chemicals
The CAS registry number of 2-n-Amylthiophene is 4861-58-9.
Molecular formula C9H14S, molecular weight 154.27.
It is also registered under: 2-n-Amylthiophene, 2-Pentylthiophene.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Thiophene, 2-pentyl-: ACTIVE.
Category: Organic Chemicals.
Public-database records for 2-n-Amylthiophene (CAS 4861-58-9), reproduced here for independent cross-checking.
| GHS notification summary | 5.3% (77 / 1442) |
|---|---|
| Reported hazard statements | H302 (92.1%), H312 (89.5%), H332 (89.5%) |
This chemical does not meet GHS hazard criteria for 5.3% (77 of 1442) of reports.
H302 (92.1%): Harmful if swallowed [Warning Acute toxicity, oral]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Wood No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 5.3% (77 / 1442) |
| 沸点 | 96.00 °C. @ 30.00 mm Hg |
|---|---|
| 沸点 | 202-205 °C |
| 密度 | 0.942-0.949 |
| 折射率 | 1.493-1.501 |
| CAS Registry Number | 4861-58-9 |
|---|---|
| PubChem CID | 20995 |
| 分子式 | C9H14S |
| IUPAC 名称 | 2-pentylthiophene |
| UNII（FDA） | L79LOS1ZKM |
| FEMA 编号 | 4387 |
| JECFA 编号 | 2106 |
2-PENTYLTHIOPHENE; 4861-58-9; 2-n-Pentylthiophene; Thiophene, 2-pentyl-; 2-n-Amylthiophene; 2-pentyl-thiophene; UNII-L79LOS1ZKM; L79LOS1ZKM; FEMA NO. 4387; 2-PENTYLTHIOPHENE [FHFI]; EINECS 225-465-9; DTXSID8063628; sec-Pentylthiophene; RefChem:88999; 1-Methyl butyl thiophene; DTXCID4040632
| 分子量 | 154.27 |
|---|---|
| XLogP3 | 4.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 4 |
| 精确质量 | 154.08162162 |
| 单同位素质量 | 154.08162162 |
| 拓扑极性表面积 | 28.2 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
2-n-Amylthiophene · CAS 4861-58-9 · C9H14S. UNII L79LOS1ZKM. 沸点: 96.00 °C. @ 30.00 mm Hg; 沸点: 202-205 °C; 密度: 0.942-0.949.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.