Octanolactone（CAS 698-76-0）：分子式 C8H14O2、分子量 142.20；类别 有机化学品。
| CAS号 | 698-76-0 |
|---|---|
| 分子式 | C8H14O2 |
| 分子量 | 142.20 |
| 沸点 | 115-117 °C (12 mmHg) |
| LogP | 1.9 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 1 consumer products that contain Delta-Octalactone in the following categories is provided:、• Inside the Home、General Manufacturing Information: 2H-Pyran-2-one、tetrahydro-6-propyl-: ACTIVE |
| 类别 | Organic Chemicals |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 1 consumer products that contain Delta-Octalactone in the following categories is provided:、• Inside the Home、General Manufacturing Information: 2H-Pyran-2-one、tetrahydro-6-propyl-: ACTIVE。
Octanolactone 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 698-76-0，分子式 C8H14O2（分子量 142.20），归属于有机化学品大类化工原料。
登记 CAS 号：698-76-0
其分子式 C8H14O2 由 8 个碳、14 个氢、2 个氧 组成。
别名/同义词：Octanolactone · Delta-Octalactone
所属分类：有机化学品
Octanolactone 的 CAS 登记号为 698-76-0。
分子式 C8H14O2，分子量 142.20。
别名/同义词：Octanolactone、Delta-Octalactone。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 1 consumer products that contain Delta-Octalactone in the following categories is provided:、• Inside the Home、General Manufacturing Information: 2H-Pyran-2-one、tetrahydro-6-propyl-: ACTIVE。
所属分类：Organic Chemicals。
Octanolactone（CAS 698-76-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 698-76-0 |
|---|---|
| PubChem CID | 12777 |
| Molecular formula | C8H14O2 |
| IUPAC name | 6-propyloxan-2-one |
| UNII (FDA) | 8AA944C37V |
| FEMA number | 3214 |
| JECFA number | 228 |
| Molecular Weight | 142.20 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 142.099379685 |
| Monoisotopic Mass | 142.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 115-117 °C (12 mmHg) |
|---|---|
| Density | 0.994-0.999 |
| Refractive Index | 1.452-1.458 |
698-76-0; delta-Octanolactone; DELTA-OCTALACTONE; 6-propyloxan-2-one; 2H-Pyran-2-one, tetrahydro-6-propyl-; Tetrahydro-6-propyl-2H-pyran-2-one; FEMA No. 3214; DTXSID5047164; DTXCID3027164; 8AA944C37V; RefChem:585688; 211-820-5; 5-Hydroxyoctanoic acid lactone; 5-Octanolide; delta-octanolide; .delta.-Octalactone
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Coconut, Peach No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 94.7% (249 / 263) |
| GHS notification summary | 94.7% (249 / 263) |
|---|
This chemical does not meet GHS hazard criteria for 94.7% (249 of 263) of all reports.
Reported as not meeting GHS hazard criteria by 249 of 263 companies (only 5.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Octanolactone · CAS 698-76-0 · C8H14O2. UNII 8AA944C37V. Boiling Point: 115-117 °C (12 mmHg); Density: 0.994-0.999; Refractive Index: 1.452-1.458.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Octanolactone