1-辛烯-3-醇丁酸酯（CAS 16491-54-6）：分子式 C12H22O2、分子量 198.30。
| CAS号 | 16491-54-6 |
|---|---|
| 分子式 | C12H22O2 |
| 分子量 | 198.30 |
| 沸点 | 225.00 to 227.00 °C. @ 760.00 mm Hg |
| LogP | 4 |
| 应用领域 | Use Classification: Flavouring Agent -> -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、1-ethenylhexyl ester: ACTIVE |
登记用途：Use Classification: Flavouring Agent -> -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、1-ethenylhexyl ester: ACTIVE。
1-辛烯-3-醇丁酸酯 是一种化工化合物，登记 CAS 号为 16491-54-6，分子式 C12H22O2（分子量 198.30）。
登记 CAS 号：16491-54-6
其分子式 C12H22O2 由 12 个碳、22 个氢、2 个氧 组成。
别名/同义词：1-辛烯-3-醇丁酸酯 · 1-Octen-3-ylbutyrate · 1-Octen-3-yl butyrate
1-辛烯-3-醇丁酸酯 的 CAS 登记号为 16491-54-6。
分子式 C12H22O2，分子量 198.30。
别名/同义词：1-辛烯-3-醇丁酸酯、1-Octen-3-ylbutyrate、1-Octen-3-yl butyrate。
登记用途：Use Classification: Flavouring Agent -> -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、1-ethenylhexyl ester: ACTIVE。
1-辛烯-3-醇丁酸酯（CAS 16491-54-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 16491-54-6 |
|---|---|
| PubChem CID | 27892 |
| Molecular formula | C12H22O2 |
| Molecular weight | 198.16 g/mol |
| IUPAC name | oct-1-en-3-yl butanoate |
| InChIKey | LZWFXVJBIZIHCH-UHFFFAOYSA-N |
| UNII (FDA) | H8J989X4KJ |
| ChEBI ID | CHEBI:169568 |
| FEMA number | 3612 |
| JECFA number | 1837 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 225.00 to 227.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 80-81 °C (3.5 mm Hg) |
| Density | 0.870-0.879 |
| Refractive Index | 1.423-1.428 |
1-Octen-3-yl butyrate; 16491-54-6; 1-Pentylallyl butyrate; 1-Vinylhexyl butyrate; Butanoic acid, 1-ethenylhexyl ester; Butyric acid, 1-pentylallyl ester; FEMA No. 3612; BUTYRIC ACID, 1-VINYLHEXYL ESTER; H8J989X4KJ; DTXSID80864682; RefChem:1056141; DTXCID80813170; 240-555-8; oct-1-en-3-yl butanoate; 1-Ethenylhexyl butanoate; 1-Octen-3-ol butyrate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/93 ">FAS 60-JECFA 69/622 |
|---|---|
| GHS notification summary | 100% (1422 / 1422) |
| GHS notification summary | 100% (1422 / 1422) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1422 of 1422) of all reports.
Reported as not meeting GHS hazard criteria by 1422 of 1422 companies. For more detailed information, please visit ECHA C&L website.
1-Octen-3-yl butyrate is identified by CAS 16491-54-6, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII H8J989X4KJ; ChEBI 169568; InChIKey LZWFXVJBIZIHCH-UHFFFAOYSA-N. Boiling Point: 225.00 to 227.00 °C. @ 760.00 mm Hg; Boiling Point: 80-81 °C (3.5 mm Hg); Density: 0.870-0.879.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1-Octen-3-ylbutyrate