α-当归内酯，CAS 登记号 591-12-8，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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本页已列出 α-当归内酯 的 CAS 号：591-12-8，可与随货 COA 核对。
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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.
| 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 |
| Formal Charge | 0 |
| Boiling Point | 167-170 °C |
|---|---|
| Density | 1.084 (20 °C/20 °C) |
| Refractive Index | 1.443-1.451 |
| 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]
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
CAS 591-12-8; molecular formula C5H6O2; molecular weight 98.04 g/mol.
alpha-Angelica lactone, 591-12-8, 5-Methylfuran-2(3H)-one, alpha-Angelicalactone, 5-Methyl-2(3H)-furanone, 5-methyl-3H-furan-2-one.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.
0.1% of GHS notifications report no hazard classification (1 of 1560).
Boiling Point: 167-170 °C; Density: 1.084 (20 °C/20 °C); Refractive Index: 1.443-1.451.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.