对叔丁基苯乙酸甲酯(CAS 3549-23-3):分子式 C13H18O2、分子量 206.28。
| CAS号 | 3549-23-3 |
|---|---|
| 分子式 | C13H18O2 |
| 分子量 | 206.28 |
| 沸点 | 106.00 to 107.00 °C. @ 2.00 mm Hg |
| LogP | 3.5 |
对叔丁基苯乙酸甲酯 是一种化工化合物,登记 CAS 号为 3549-23-3,分子式 C13H18O2(分子量 206.28)。
登记 CAS 号:3549-23-3
其分子式 C13H18O2 由 13 个碳、18 个氢、2 个氧 组成。
别名/同义词:对叔丁基苯乙酸甲酯 · Methyl p-tert-butylphenylacetate
对叔丁基苯乙酸甲酯 的 CAS 登记号为 3549-23-3。
分子式 C13H18O2,分子量 206.28。
别名/同义词:对叔丁基苯乙酸甲酯、Methyl p-tert-butylphenylacetate。
对叔丁基苯乙酸甲酯(CAS 3549-23-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 3549-23-3 |
|---|---|
| PubChem CID | 605629 |
| Molecular formula | C13H18O2 |
| Molecular weight | 206.13 g/mol |
| IUPAC name | methyl 2-(4-tert-butylphenyl)acetate |
| InChIKey | HXVTYMWVMVKVTF-UHFFFAOYSA-N |
| UNII (FDA) | 8A4H5QO9OJ |
| FEMA number | 2690 |
| JECFA number | 1025 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 106.00 to 107.00 °C. @ 2.00 mm Hg |
|---|---|
| Boiling Point | 106 °C (2 mm Hg); 93 °C (1 mm Hg) |
| Density | 0.995-1.003 |
| Refractive Index | 1.494-1.504 |
3549-23-3; Methyl p-tert-butylphenylacetate; Methyl 4-tert-butylphenylacetate; methyl 2-(4-tert-butylphenyl)acetate; Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester; FEMA No. 2690; 8A4H5QO9OJ; Acetic acid, (p-tert-butylphenyl)-, methyl ester; DTXSID0063070; Methyl 4-(1,1-dimethylethyl)benzeneacetate; EINECS 222-602-4; METHYL 4-TERT-BUTYLBENZENEACETATE; METHYL P-TERT-BUTYLPHENYLACETATE [FHFI]; (4-TERT-BUTYLPHENYL)ACETIC ACID METHYL ESTER; RefChem:818012; DTXCID8039033
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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 | 98.9% (91 / 92) |
| GHS notification summary | 98.9% (91 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Methyl p-tert-butylphenylacetate is identified by CAS 3549-23-3, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 8A4H5QO9OJ; InChIKey HXVTYMWVMVKVTF-UHFFFAOYSA-N. Boiling Point: 106.00 to 107.00 °C. @ 2.00 mm Hg; Boiling Point: 106 °C (2 mm Hg); 93 °C (1 mm Hg); Density: 0.995-1.003.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Methyl p-tert-butylphenylacetate