α-当归内酯（CAS 591-12-8）：分子式 C5H6O2、分子量 98.10。
| CAS号 | 591-12-8 |
|---|---|
| 分子式 | C5H6O2 |
| 分子量 | 98.10 |
| 沸点 | 167-170 °C |
| LogP | 0.6 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 2(3H)-Furanone、5-methyl-: ACTIVE |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 2(3H)-Furanone、5-methyl-: ACTIVE。
α-当归内酯 是一种化工化合物，登记 CAS 号为 591-12-8，分子式 C5H6O2（分子量 98.10）。
登记 CAS 号：591-12-8
其分子式 C5H6O2 由 5 个碳、6 个氢、2 个氧 组成。
别名/同义词：α-当归内酯 · α-Angelica lactone
α-当归内酯 的 CAS 登记号为 591-12-8。
分子式 C5H6O2，分子量 98.10。
别名/同义词：α-当归内酯、α-Angelica lactone。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 2(3H)-Furanone、5-methyl-: ACTIVE。
α-当归内酯（CAS 591-12-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 591-12-8 |
|---|---|
| PubChem CID | 11559 |
| Molecular formula | C5H6O2 |
| Molecular weight | 98.04 g/mol |
| IUPAC name | 5-methyl-3H-furan-2-one |
| InChIKey | QOTQFLOTGBBMEX-UHFFFAOYSA-N |
| UNII (FDA) | 29CRF6L9C5 |
| ChEBI ID | CHEBI:36433 |
| JECFA number | 221 |
| Molecular Weight | 98.10 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.036779430 |
| Monoisotopic Mass | 98.036779430 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 7 |
| Boiling Point | 167-170 °C |
|---|---|
| Density | 1.084 (20 °C/20 °C) |
| Refractive Index | 1.443-1.451 |
alpha-Angelica lactone; 591-12-8; 5-Methylfuran-2(3H)-one; alpha-Angelicalactone; 5-Methyl-2(3H)-furanone; 5-methyl-3H-furan-2-one; 2(3H)-FURANONE, 5-METHYL-; 4-Hydroxypent-3-enoic acid lactone; 4-Hydroxy-3-pentenoic acid gamma-lactone; delta(2)-Angelica lactone; .alpha.-Angelica lactone; gamma-Methyl-beta,gamma-crotonolactone; a-Angelica lactone; alpha-Angelicalacton; UNII-29CRF6L9C5; delta(sup 2)-Angelica lactone
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/42 FAS 40-JECFA 49/231 |
|---|---|
| GHS notification summary | 0.1% (1 / 1560) |
| GHS notification summary | 0.1% (1 / 1560) |
|---|---|
| Reported hazard statements | H317 (99.9%), H227 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1560) of reports.
H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
α-Angelica lactone is identified by CAS 591-12-8, molecular formula C5H6O2 and molecular weight 98.04 g/mol. UNII 29CRF6L9C5; ChEBI 36433; InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N. Boiling Point: 167-170 °C; Density: 1.084 (20 °C/20 °C); Refractive Index: 1.443-1.451.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: α-Angelica lactone