phenethyl 3-methylbut-2-enoate (CAS 42078-65-9) — formula C13H16O2, molecular weight 204.26; category organic chemicals.
phenethyl 3-methylbut-2-enoate is a carbon-based organic compound with CAS registry number 42078-65-9 and molecular formula C13H16O2 (molecular weight 204.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42078-65-9
Its molecular formula C13H16O2 comprises 13 C, 16 H, 2 O atoms.
Also known as: phenethyl 3-methylbut-2-enoate · Phenethyl senecioate
Category: organic chemicals
The CAS registry number of phenethyl 3-methylbut-2-enoate is 42078-65-9.
Molecular formula C13H16O2, molecular weight 204.26.
It is also registered under: phenethyl 3-methylbut-2-enoate, Phenethyl senecioate.
Category: Organic Chemicals.
Public-database records for phenethyl 3-methylbut-2-enoate (CAS 42078-65-9), reproduced here for independent cross-checking.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 沸点 | 285.00 to 287.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 285 °C |
| 密度 | 1.011-1.019 |
| 折射率 | 1.514-1.520 |
| CAS Registry Number | 42078-65-9 |
|---|---|
| PubChem CID | 61997 |
| 分子式 | C13H16O2 |
| IUPAC 名称 | 2-phenylethyl 3-methylbut-2-enoate |
| UNII（FDA） | RB4P98KP6R |
| FEMA 编号 | 2869 |
| JECFA 编号 | 998 |
Phenethyl senecioate; 2-phenylethyl 3-methylbut-2-enoate; 2-Butenoic acid, 3-methyl-, 2-phenylethyl ester; 42078-65-9; 2-Phenylethyl 3-methyl-2-butenoate; Phenethyl 3-methylbut-2-enoate; Phenethyl 3-methylcrotonate; 2-Phenylethyl senecioate; Phenethyl 3,3-dimethylacrylate; FEMA No. 2869; Phenylethyl beta,beta-dimethylacrylate; EINECS 255-649-4; RB4P98KP6R; 2-Butenoic acid, 3-methyl-, 2-phenethyl ester; DTXSID5068366; PHENETHYL SENECIOATE [FHFI]
| 分子量 | 204.26 |
|---|---|
| XLogP3 | 3.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 204.115029749 |
| 单同位素质量 | 204.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
phenethyl 3-methylbut-2-enoate · CAS 42078-65-9 · C13H16O2. UNII RB4P98KP6R. 沸点: 285.00 to 287.00 °C. @ 760.00 mm Hg; 沸点: 285 °C; 密度: 1.011-1.019.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.