3,3-二甲基丙烯酸(CAS 541-47-9):分子式 C5H8O2、分子量 100.12。
| CAS号 | 541-47-9 |
|---|---|
| 分子式 | C5H8O2 |
| 分子量 | 100.12 |
| 熔点 | 65 °C |
| 沸点 | 195.00 to 197.00 °C. @ 760.00 mm Hg |
| LogP | 1.2 |
3,3-二甲基丙烯酸 是一种化工化合物,登记 CAS 号为 541-47-9,分子式 C5H8O2(分子量 100.12)。
登记 CAS 号:541-47-9
其分子式 C5H8O2 由 5 个碳、8 个氢、2 个氧 组成。
别名/同义词:3,3-二甲基丙烯酸 · 3-Methylcrotonic acid
3,3-二甲基丙烯酸 的 CAS 登记号为 541-47-9。
分子式 C5H8O2,分子量 100.12。
别名/同义词:3,3-二甲基丙烯酸、3-Methylcrotonic acid。
3,3-二甲基丙烯酸(CAS 541-47-9)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 541-47-9 |
|---|---|
| PubChem CID | 10931 |
| Molecular formula | C5H8O2 |
| Molecular weight | 100.05 g/mol |
| IUPAC name | 3-methylbut-2-enoic acid |
| InChIKey | YYPNJNDODFVZLE-UHFFFAOYSA-N |
| UNII (FDA) | EKV8I38F9I |
| ChEBI ID | CHEBI:37127 |
| FEMA number | 3187 |
| JECFA number | 1204 |
| Molecular Weight | 100.12 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 100.052429494 |
| Monoisotopic Mass | 100.052429494 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 7 |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
|---|---|
| Melting Point | 65 °C |
| Solubility | 10 mg/mL |
3,3-Dimethylacrylic acid; 541-47-9; Senecioic acid; 3-Methylcrotonic acid; 2-Butenoic acid, 3-methyl-; 3-METHYL-2-BUTENOIC ACID; beta,beta-Dimethylacrylic acid; beta,beta-Dimethacrylic acid; beta-Methylcrotonic acid; FEMA No. 3187; DTXSID2047145; EKV8I38F9I; DTXCID0027145; RefChem:25865; 208-782-7; 3-methylbut-2-enoic acid
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H314 (21.6%), H315 (78.4%), H318 (46.8%), H335 (78.4%) |
|---|
H314 (21.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (78.4%): Causes skin irritation [Warning Skin corrosion/irritation]
3-Methylcrotonic acid is identified by CAS 541-47-9, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII EKV8I38F9I; ChEBI 37127; InChIKey YYPNJNDODFVZLE-UHFFFAOYSA-N. Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg; Melting Point: 65 °C; Solubility: 10 mg/mL.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 3-Methylcrotonic acid