丁酸茴香酯(CAS 6963-56-0):分子式 C12H16O3、分子量 208.25。
| CAS号 | 6963-56-0 |
|---|---|
| 分子式 | C12H16O3 |
| 分子量 | 208.25 |
| 沸点 | 270.00 °C. @ 760.00 mm Hg |
| LogP | 3 |
丁酸茴香酯 是一种化工化合物,登记 CAS 号为 6963-56-0,分子式 C12H16O3(分子量 208.25)。
登记 CAS 号:6963-56-0
其分子式 C12H16O3 由 12 个碳、16 个氢、3 个氧 组成。
别名/同义词:丁酸茴香酯 · anisyl butyrate
丁酸茴香酯 的 CAS 登记号为 6963-56-0。
分子式 C12H16O3,分子量 208.25。
别名/同义词:丁酸茴香酯、anisyl butyrate。
丁酸茴香酯(CAS 6963-56-0)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 6963-56-0 |
|---|---|
| PubChem CID | 243675 |
| Molecular formula | C12H16O3 |
| Molecular weight | 208.11 g/mol |
| IUPAC name | (4-methoxyphenyl)methyl butanoate |
| InChIKey | MEPOOZLETHNMSR-UHFFFAOYSA-N |
| UNII (FDA) | Z8T0G5UDPH |
| ChEBI ID | CHEBI:173598 |
| FEMA number | 2100 |
| JECFA number | 875 |
| Molecular Weight | 208.25 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 208.109944368 |
| Monoisotopic Mass | 208.109944368 |
| Topological Polar Surface Area | 35.5 |
| Heavy Atom Count | 15 |
| Boiling Point | 270.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 270 °C |
| Density | 1.047-1.067 |
| Refractive Index | 1.500-1.505 |
Anisyl butyrate; 6963-56-0; 4-Methoxybenzyl butyrate; Butyric acid, p-methoxybenzyl ester; Butanoic acid, (4-methoxyphenyl)methyl ester; p-Methoxybenzyl butyrate; Benzyl alcohol, p-methoxy-, butyrate; Methoxybenzyl butyrate, p-; FEMA No. 2100; Z8T0G5UDPH; Methoxybenzyl alcohol butyrate, p-; EINECS 230-163-5; NSC 53797; NSC-53797; ANISYL BUTYRATE [FHFI]; DTXSID2064523
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
anisyl butyrate is identified by CAS 6963-56-0, molecular formula C12H16O3 and molecular weight 208.11 g/mol. UNII Z8T0G5UDPH; ChEBI 173598; InChIKey MEPOOZLETHNMSR-UHFFFAOYSA-N. Boiling Point: 270.00 °C. @ 760.00 mm Hg; Boiling Point: 270 °C; Density: 1.047-1.067.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: anisyl butyrate