黄葵内酯（CAS 123-69-3）：分子式 C16H28O2、分子量 252.39。
| CAS号 | 123-69-3 |
|---|---|
| 分子式 | C16H28O2 |
| 分子量 | 252.39 |
| 沸点 | 398.00 to 399.00 °C. @ 760.00 mm Hg |
| LogP | 5.5 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Oxacycloheptadec-8-en-2-one、(8Z)-: INACTIVE |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Oxacycloheptadec-8-en-2-one、(8Z)-: INACTIVE。
黄葵内酯 是一种化工化合物，登记 CAS 号为 123-69-3，分子式 C16H28O2（分子量 252.39）。
登记 CAS 号：123-69-3
其分子式 C16H28O2 由 16 个碳、28 个氢、2 个氧 组成。
别名/同义词：黄葵内酯 · AMBRETTOLIDE
黄葵内酯 的 CAS 登记号为 123-69-3。
分子式 C16H28O2，分子量 252.39。
别名/同义词：黄葵内酯、AMBRETTOLIDE。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Oxacycloheptadec-8-en-2-one、(8Z)-: INACTIVE。
黄葵内酯（CAS 123-69-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 123-69-3 |
|---|---|
| PubChem CID | 5365703 |
| Molecular formula | C16H28O2 |
| Molecular weight | 252.21 g/mol |
| IUPAC name | (8Z)-1-oxacycloheptadec-8-en-2-one |
| InChIKey | NVIPUOMWGQAOIT-RQOWECAXSA-N |
| UNII (FDA) | 095I377U8F |
| ChEBI ID | CHEBI:189999 |
| Molecular Weight | 252.39 |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 252.208930132 |
| Monoisotopic Mass | 252.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 18 |
| Boiling Point | 398.00 to 399.00 °C. @ 760.00 mm Hg |
|---|
Ambrettolide; Ambrettolid; 123-69-3; Natural musk ambrette; Musk; (Z)-Oxacycloheptadec-8-en-2-one; Oxacycloheptadec-8-en-2-one, (8Z)-; 16-Hydroxy-7-hexadecenoic acid lactone; OXACYCLOHEPTADEC-8-EN-2-ONE, (Z)-; 095I377U8F; RefChem:857007; DTXCID00809959; 16-hydroxy-7-hexadecenoic acid, omicron-lactone; 204-644-5; DTXSID6040799; (8Z)-1-oxacycloheptadec-8-en-2-one
| 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 | 19% (28 / 147) |
| GHS notification summary | 19% (28 / 147) |
|---|---|
| Reported hazard statements | H315 (73.5%), H319 (73.5%), H335 (73.5%) |
This chemical does not meet GHS hazard criteria for 19% (28 of 147) of reports.
H315 (73.5%): Causes skin irritation [Warning Skin corrosion/irritation]
AMBRETTOLIDE is identified by CAS 123-69-3, molecular formula C16H28O2 and molecular weight 252.21 g/mol. UNII 095I377U8F; ChEBI 189999; InChIKey NVIPUOMWGQAOIT-RQOWECAXSA-N. Boiling Point: 398.00 to 399.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: AMBRETTOLIDE