丁酸,3-氧代-,2-甲基丙酯(CAS 7779-75-1):分子式 C8H14O3、分子量 158.19。
| CAS号 | 7779-75-1 |
|---|---|
| 分子式 | C8H14O3 |
| 分子量 | 158.19 |
| 沸点 | 196.00 °C. @ 760.00 mm Hg |
| LogP | 1.2 |
丁酸,3-氧代-,2-甲基丙酯 是一种化工化合物,登记 CAS 号为 7779-75-1,分子式 C8H14O3(分子量 158.19)。
登记 CAS 号:7779-75-1
其分子式 C8H14O3 由 8 个碳、14 个氢、3 个氧 组成。
别名/同义词:丁酸,3-氧代-,2-甲基丙酯 · Butanoic acid, 3-oxo-, 2-methylpropyl ester
丁酸,3-氧代-,2-甲基丙酯 的 CAS 登记号为 7779-75-1。
分子式 C8H14O3,分子量 158.19。
别名/同义词:丁酸,3-氧代-,2-甲基丙酯、Butanoic acid, 3-oxo-, 2-methylpropyl ester。
丁酸,3-氧代-,2-甲基丙酯(CAS 7779-75-1)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 7779-75-1 |
|---|---|
| PubChem CID | 522677 |
| Molecular formula | C8H14O3 |
| IUPAC name | 2-methylpropyl 3-oxobutanoate |
| UNII (FDA) | 5HI9DAL68Z |
| FEMA number | 2177 |
| JECFA number | 597 |
| Molecular Weight | 158.19 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.094294304 |
| Monoisotopic Mass | 158.094294304 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 11 |
| Boiling Point | 196.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 196 °C; 84.5 °C (11 mm Hg) |
| Density | 0.97 |
| Refractive Index | 1.422-1.432 |
Isobutyl acetoacetate; Isobutyl 3-oxobutanoate; 2-Methylpropyl 3-oxobutanoate; Butanoic acid, 3-oxo-, 2-methylpropyl ester; Acetoacetic acid, isobutyl ester; Isobutyl 3-ketobutyrate; Isobutyl 3-ketobutanoate; 2-Methyl-1-propyl acetoacetate; 5HI9DAL68Z; FEMA No. 2177; UNII-5HI9DAL68Z; AI3-36524; EINECS 231-937-5; DTXSID3064805; ZYXNLVMBIHVDRH-UHFFFAOYSA-; ISOBUTYL ACETOACETATE [FHFI]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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 | 85.7% (12 / 14) |
| GHS notification summary | 85.7% (12 / 14) |
|---|---|
| Reported hazard statements | H315 (14.3%), H319 (14.3%) |
This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Butanoic acid, 3-oxo-, 2-methylpropyl ester · CAS 7779-75-1 · C8H14O3. UNII 5HI9DAL68Z. Boiling Point: 196.00 °C. @ 760.00 mm Hg; Boiling Point: 196 °C; 84.5 °C (11 mm Hg); Density: 0.97.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Butanoic acid, 3-oxo-, 2-methylpropyl ester