3-甲基-3-丁烯基乙酸酯（CAS 5205-07-2）：分子式 C7H12O2、分子量 128.17。
| CAS号 | 5205-07-2 |
|---|---|
| 分子式 | C7H12O2 |
| 分子量 | 128.17 |
| 沸点 | 151-152 °C |
| LogP | 1.8 |
3-甲基-3-丁烯基乙酸酯 是一种化工化合物，登记 CAS 号为 5205-07-2，分子式 C7H12O2（分子量 128.17）。
登记 CAS 号：5205-07-2
其分子式 C7H12O2 由 7 个碳、12 个氢、2 个氧 组成。
别名/同义词：3-甲基-3-丁烯基乙酸酯 · 3-methyl-3-butenyl acetate
3-甲基-3-丁烯基乙酸酯 的 CAS 登记号为 5205-07-2。
分子式 C7H12O2，分子量 128.17。
别名/同义词：3-甲基-3-丁烯基乙酸酯、3-methyl-3-butenyl acetate。
3-甲基-3-丁烯基乙酸酯（CAS 5205-07-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 5205-07-2 |
|---|---|
| PubChem CID | 78879 |
| Molecular formula | C7H12O2 |
| IUPAC name | 3-methylbut-3-enyl acetate |
| UNII (FDA) | 962IG82H5B |
| FEMA number | 3991 |
| JECFA number | 1269 |
| Molecular Weight | 128.17 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.083729621 |
| Monoisotopic Mass | 128.083729621 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 151-152 °C |
|---|---|
| Density | 0.904-0.914 |
| Refractive Index | 1.418-1.426 |
3-Methyl-3-butenyl acetate; 3-methylbut-3-enyl acetate; 5205-07-2; isoprenyl acetate; 3-methylbut-3-en-1-yl acetate; 3-Buten-1-ol, 3-methyl-, 1-acetate; 3-methyl-3-buten-1-yl acetate; 3-Buten-1-ol, 3-methyl-, acetate; Acetic acid, 3-methylbut-3-enyl ester; 3-Methyl-3-buten-1-ol, acetate; 1-Acetoxy-3-methyl-3-butene; 962IG82H5B; FEMA NO. 3991; ISOPRENYL ACETATE [FHFI]; DTXSID30863504; EINECS 225-996-6
| 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 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
3-methyl-3-butenyl acetate · CAS 5205-07-2 · C7H12O2. UNII 962IG82H5B. Boiling Point: 151-152 °C; Density: 0.904-0.914; Refractive Index: 1.418-1.426.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-methyl-3-butenyl acetate