3-羟基己酸乙酯（CAS 2305-25-1）：分子式 C8H16O3、分子量 160.21。
| CAS号 | 2305-25-1 |
|---|---|
| 分子式 | C8H16O3 |
| 分子量 | 160.21 |
| 沸点 | 101.00 to 102.00 °C. @ 14.00 mm Hg |
| LogP | 1 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Hexanoic acid、3-hydroxy-、ethyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Hexanoic acid、3-hydroxy-、ethyl ester: ACTIVE。
3-羟基己酸乙酯 是一种化工化合物，登记 CAS 号为 2305-25-1，分子式 C8H16O3（分子量 160.21）。
登记 CAS 号：2305-25-1
其分子式 C8H16O3 由 8 个碳、16 个氢、3 个氧 组成。
别名/同义词：3-羟基己酸乙酯 · ethyl 3-hydroxyhexanoate
3-羟基己酸乙酯 的 CAS 登记号为 2305-25-1。
分子式 C8H16O3，分子量 160.21。
别名/同义词：3-羟基己酸乙酯、ethyl 3-hydroxyhexanoate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Hexanoic acid、3-hydroxy-、ethyl ester: ACTIVE。
3-羟基己酸乙酯（CAS 2305-25-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2305-25-1 |
|---|---|
| PubChem CID | 61293 |
| Molecular formula | C8H16O3 |
| Molecular weight | 160.11 g/mol |
| IUPAC name | ethyl 3-hydroxyhexanoate |
| InChIKey | LYRIITRHDCNUHV-UHFFFAOYSA-N |
| UNII (FDA) | 2M3L6B34FF |
| ChEBI ID | CHEBI:23997 |
| FEMA number | 3545 |
| JECFA number | 601 |
| Molecular Weight | 160.21 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 160.109944368 |
| Monoisotopic Mass | 160.109944368 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 11 |
| Boiling Point | 101.00 to 102.00 °C. @ 14.00 mm Hg |
|---|---|
| Boiling Point | 101-102 °C (14 mm Hg); 62 °C (0.7 mm Hg); 90 °C (10 mm Hg) |
| Density | 0.967-0.976 |
| Refractive Index | 1.423-1.433 |
Ethyl 3-hydroxyhexanoate; 2305-25-1; Hexanoic acid, 3-hydroxy-, ethyl ester; Ethyl beta-hydroxycaproate; FEMA No. 3545; 2M3L6B34FF; Ethyl 3-hydroxycaproate; ethyl 3-hydroxy-hexanoate; CHEBI:23997; 3-hydroxy-hexanoic acid ethyl ester; EINECS 218-973-7; ETHYL 3-HYDROXYHEXANOATE [FHFI]; WE(2:0/6:0(3OH)); DTXSID10862898; CAPROIC ACID, .BETA.-HYDROXY-, ETHYL ESTER; RefChem:594986
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fresh, Fruit, Passion Fruit, Rubber No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.9% (1457 / 1458) |
| GHS notification summary | 99.9% (1457 / 1458) |
|---|
This chemical does not meet GHS hazard criteria for > 99.9% (1457 of 1458) of all reports.
Reported as not meeting GHS hazard criteria by 1457 of 1458 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
ethyl 3-hydroxyhexanoate is identified by CAS 2305-25-1, molecular formula C8H16O3 and molecular weight 160.11 g/mol. UNII 2M3L6B34FF; ChEBI 23997; InChIKey LYRIITRHDCNUHV-UHFFFAOYSA-N. Boiling Point: 101.00 to 102.00 °C. @ 14.00 mm Hg; Boiling Point: 101-102 °C (14 mm Hg); 62 °C (0.7 mm Hg); 90 °C (10 mm Hg); Density: 0.967-0.976.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ethyl 3-hydroxyhexanoate