2-甲基丁酸-3-甲基丁酯（CAS 27625-35-0）：分子式 C10H20O2、分子量 172.26。
| CAS号 | 27625-35-0 |
|---|---|
| 分子式 | C10H20O2 |
| 分子量 | 172.26 |
| 沸点 | 185.00 to 186.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
2-甲基丁酸-3-甲基丁酯 是一种化工化合物，登记 CAS 号为 27625-35-0，分子式 C10H20O2（分子量 172.26）。
登记 CAS 号：27625-35-0
其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。
别名/同义词：2-甲基丁酸-3-甲基丁酯 · 3-METHYLBUTYL 2-METHYLBUTANOATE · Isoamyl 2-Methyl butyrate · Isoamyl 2-methylbutanoate
2-甲基丁酸-3-甲基丁酯 的 CAS 登记号为 27625-35-0。
分子式 C10H20O2，分子量 172.26。
别名/同义词：2-甲基丁酸-3-甲基丁酯、3-METHYLBUTYL 2-METHYLBUTANOATE、Isoamyl 2-Methyl butyrate、Isoamyl 2-methylbutanoate。
2-甲基丁酸-3-甲基丁酯（CAS 27625-35-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 27625-35-0 |
|---|---|
| PubChem CID | 520326 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 3-methylbutyl 2-methylbutanoate |
| InChIKey | VGIRHYHLQKDEPP-UHFFFAOYSA-N |
| UNII (FDA) | 7LGN25Y6EK |
| ChEBI ID | CHEBI:179544 |
| FEMA number | 3505 |
| JECFA number | 51 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 70-71 °C (8 mm Hg) |
| Density | 0.852-0.861 |
| Refractive Index | 1.4124 |
27625-35-0; 3-Methylbutyl 2-methylbutanoate; Isopentyl 2-methylbutyrate; Isoamyl 2-methylbutyrate; Butanoic acid, 2-methyl-, 3-methylbutyl ester; Isopentyl 2-methylbutanoate; 3-Methylbutyl 2-methylbutyrate; Isoamyl 2-methylbutanoate; Isoamyl alpha-methylbutyrate; FEMA No. 3505; 7LGN25Y6EK; EINECS 248-581-1; 3-Methylbutyl 2-methylbutanoate (natural); AI3-33629; ISOAMYL-2-METHYLBUTYRATE; DTXSID90865387
| 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 | 73.3% (118 / 161) |
| GHS notification summary | 73.3% (118 / 161) |
|---|---|
| Reported hazard statements | H315 (25.5%), H319 (26.1%) |
This chemical does not meet GHS hazard criteria for 73.3% (118 of 161) of all reports.
H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Isoamyl 2-methylbutanoate is identified by CAS 27625-35-0, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 7LGN25Y6EK; ChEBI 179544; InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N. Boiling Point: 185.00 to 186.00 °C. @ 760.00 mm Hg; Boiling Point: 70-71 °C (8 mm Hg); Density: 0.852-0.861.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-METHYLBUTYL 2-METHYLBUTANOATE