苯甲酸甲基丁烯酯（CAS 5205-11-8）：分子式 C12H14O2、分子量 190.24。
| CAS号 | 5205-11-8 |
|---|---|
| 分子式 | C12H14O2 |
| 分子量 | 190.24 |
| 沸点 | 109-111 °C (2 mm Hg) |
| LogP | 3.2 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Buten-1-ol、3-methyl-、1-benzoate: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Buten-1-ol、3-methyl-、1-benzoate: ACTIVE。
苯甲酸甲基丁烯酯 是一种化工化合物，登记 CAS 号为 5205-11-8，分子式 C12H14O2（分子量 190.24）。
登记 CAS 号：5205-11-8
其分子式 C12H14O2 由 12 个碳、14 个氢、2 个氧 组成。
别名/同义词：苯甲酸甲基丁烯酯 · Benzoicacidmethylbutenylester
苯甲酸甲基丁烯酯 的 CAS 登记号为 5205-11-8。
分子式 C12H14O2，分子量 190.24。
别名/同义词：苯甲酸甲基丁烯酯、Benzoicacidmethylbutenylester。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Buten-1-ol、3-methyl-、1-benzoate: ACTIVE。
苯甲酸甲基丁烯酯（CAS 5205-11-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 5205-11-8 |
|---|---|
| PubChem CID | 21265 |
| Molecular formula | C12H14O2 |
| IUPAC name | 3-methylbut-2-enyl benzoate |
| UNII (FDA) | O577ZIE86G |
| FEMA number | 4203 |
| JECFA number | 2063 |
| Molecular Weight | 190.24 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 190.099379685 |
| Monoisotopic Mass | 190.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 109-111 °C (2 mm Hg) |
|---|---|
| Density | 1.016-1.025 |
| Refractive Index | 1.514-1.521 |
Prenyl benzoate; 5205-11-8; 3-Methyl-2-butenyl benzoate; 3-Methylbut-2-enyl benzoate; 3-methylbut-2-en-1-yl benzoate; 2-BUTEN-1-OL, 3-METHYL-, BENZOATE; DTXSID8047131; Benzoic acid, 3-methyl-2-butenyl ester; EINECS 225-998-7; PRENYL BENZOATE [FHFI]; O577ZIE86G; 2-Buten-1-ol, 3-methyl-, 1-benzoate; FEMA NO. 4203; BRN 2046710; DTXCID6027131; RefChem:868479
| 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 | 86.1% (236 / 274) |
| GHS notification summary | 86.1% (236 / 274) |
|---|---|
| Reported hazard statements | H411 (13.9%) |
This chemical does not meet GHS hazard criteria for 86.1% (236 of 274) of all reports.
H411 (13.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Benzoicacidmethylbutenylester · CAS 5205-11-8 · C12H14O2. UNII O577ZIE86G. Boiling Point: 109-111 °C (2 mm Hg); Density: 1.016-1.025; Refractive Index: 1.514-1.521.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Benzoicacidmethylbutenylester