丁位己内酯（CAS 823-22-3）：分子式 C6H10O2、分子量 114.14。
| CAS号 | 823-22-3 |
|---|---|
| 分子式 | C6H10O2 |
| 分子量 | 114.14 |
| 熔点 | 31.00 °C. @ 760.00 mm Hg |
| 沸点 | 110.00 to 112.00 °C. @ 15.00 mm Hg |
| LogP | 1 |
丁位己内酯 是一种化工化合物，登记 CAS 号为 823-22-3，分子式 C6H10O2（分子量 114.14）。
登记 CAS 号：823-22-3
其分子式 C6H10O2 由 6 个碳、10 个氢、2 个氧 组成。
别名/同义词：丁位己内酯 · delta-Hexanolactone · γ-Hexalactone
丁位己内酯 的 CAS 登记号为 823-22-3。
分子式 C6H10O2，分子量 114.14。
别名/同义词：丁位己内酯、delta-Hexanolactone、γ-Hexalactone。
丁位己内酯（CAS 823-22-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 823-22-3 |
|---|---|
| PubChem CID | 13204 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | 6-methyloxan-2-one |
| InChIKey | RZTOWFMDBDPERY-UHFFFAOYSA-N |
| UNII (FDA) | C8456O4551 |
| ChEBI ID | CHEBI:172408 |
| FEMA number | 3167 |
| JECFA number | 224 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 110.00 to 112.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 110-112 °C (15 mm Hg) |
| Melting Point | 31.00 °C. @ 760.00 mm Hg |
| Density | 1.0162 (20 °C/20 °C) |
| Refractive Index | 1.449-1.453 |
823-22-3; delta-Hexalactone; delta-Hexanolactone; 6-methyloxan-2-one; delta-Caprolactone; 5-Methyl-delta-valerolactone; 5-Hydroxyhexanoic acid lactone; .delta.-Caprolactone; 2H-Pyran-2-one, tetrahydro-6-methyl-; Tetrahydro-6-methyl-2H-pyran-2-one; Hexanolactone; 5-Hexanolide; .delta.-Hexalactone; 6-Methyltetrahydro-2H-pyran-2-one; 6-Methylvalerolactone; delta-Methyl-delta-valerolactone
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Spice No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/42 |
|---|---|
| GHS notification summary | 7% (101 / 1451) |
| GHS notification summary | 7% (101 / 1451) |
|---|---|
| Reported hazard statements | H319 (93%) |
This chemical does not meet GHS hazard criteria for 7% (101 of 1451) of reports.
H319 (93%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
γ-Hexalactone is identified by CAS 823-22-3, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII C8456O4551; ChEBI 172408; InChIKey RZTOWFMDBDPERY-UHFFFAOYSA-N. Boiling Point: 110.00 to 112.00 °C. @ 15.00 mm Hg; Boiling Point: 110-112 °C (15 mm Hg); Melting Point: 31.00 °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: delta-Hexanolactone