乙酸1,1-二甲基-3-苯丙酯(CAS 103-07-1):分子式 C13H18O2、分子量 206.28。
| CAS号 | 103-07-1 |
|---|---|
| 分子式 | C13H18O2 |
| 分子量 | 206.28 |
| 沸点 | 243.00 to 244.00 °C. @ 760.00 mm Hg |
| LogP | 3 |
乙酸1,1-二甲基-3-苯丙酯 是一种化工化合物,登记 CAS 号为 103-07-1,分子式 C13H18O2(分子量 206.28)。
登记 CAS 号:103-07-1
其分子式 C13H18O2 由 13 个碳、18 个氢、2 个氧 组成。
别名/同义词:乙酸1,1-二甲基-3-苯丙酯 · 1,1-dimethyl-3-phenylpropyl acetate · Dimethyl phenethyl carbinyl acetate
乙酸1,1-二甲基-3-苯丙酯 的 CAS 登记号为 103-07-1。
分子式 C13H18O2,分子量 206.28。
别名/同义词:乙酸1,1-二甲基-3-苯丙酯、1,1-dimethyl-3-phenylpropyl acetate、Dimethyl phenethyl carbinyl acetate。
乙酸1,1-二甲基-3-苯丙酯(CAS 103-07-1)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 103-07-1 |
|---|---|
| PubChem CID | 7633 |
| Molecular formula | C13H18O2 |
| Molecular weight | 206.13 g/mol |
| IUPAC name | (2-methyl-4-phenylbutan-2-yl) acetate |
| InChIKey | ZXFNOEJFYLQUSB-UHFFFAOYSA-N |
| UNII (FDA) | 9YRG98MG30 |
| FEMA number | 2735 |
| JECFA number | 1460 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 243.00 to 244.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 244 °C |
| Density | 0.986-0.990 (15 °C) |
| Refractive Index | 1.488-1.490 |
2-Methyl-4-phenyl-2-butyl acetate; RefChem:475593; 103-07-1; 1,1-Dimethyl-3-phenylpropyl acetate; Dmpec acetate; Dimethylphenylethylcarbinyl acetate; Dimethyl phenethyl carbinyl acetate; 2-Methyl-4-phenyl-2-acetoxybutane; FEMA No. 2735; Dimethylphenethylcarbinyl acetate; (2-methyl-4-phenylbutan-2-yl) acetate; Phenylethyl dimethyl carbinyl acetate; 2-methyl-4-phenylbutan-2-yl acetate; 2-Methyl-4-phenyl-2-butanyl acetate; alpha,alpha-Dimethylbenzenepropyl acetate; 2-Butanol, 2-methyl-4-phenyl-, acetate
| 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 |
|---|---|
| GHS notification summary | 86.1% (235 / 273) |
| GHS notification summary | 86.1% (235 / 273) |
|---|---|
| Reported hazard statements | H317 (13.9%) |
This chemical does not meet GHS hazard criteria for 86.1% (235 of 273) of all reports.
H317 (13.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Dimethyl phenethyl carbinyl acetate is identified by CAS 103-07-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 9YRG98MG30; InChIKey ZXFNOEJFYLQUSB-UHFFFAOYSA-N. Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Density: 0.986-0.990 (15 °C).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 1,1-dimethyl-3-phenylpropyl acetate