异丁酸庚酯（CAS 2349-13-5）：分子式 C11H22O2、分子量 186.29。
| CAS号 | 2349-13-5 |
|---|---|
| 分子式 | C11H22O2 |
| 分子量 | 186.29 |
| 沸点 | 212.00 °C. @ 760.00 mm Hg |
| LogP | 4 |
异丁酸庚酯 是一种化工化合物，登记 CAS 号为 2349-13-5，分子式 C11H22O2（分子量 186.29）。
登记 CAS 号：2349-13-5
其分子式 C11H22O2 由 11 个碳、22 个氢、2 个氧 组成。
别名/同义词：异丁酸庚酯 · heptyl isobutyrate
异丁酸庚酯 的 CAS 登记号为 2349-13-5。
分子式 C11H22O2，分子量 186.29。
别名/同义词：异丁酸庚酯、heptyl isobutyrate。
异丁酸庚酯（CAS 2349-13-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2349-13-5 |
|---|---|
| PubChem CID | 61304 |
| Molecular formula | C11H22O2 |
| Molecular weight | 186.16 g/mol |
| IUPAC name | heptyl 2-methylpropanoate |
| InChIKey | RFDUMBPGZUIKOG-UHFFFAOYSA-N |
| UNII (FDA) | FE997Z53QF |
| ChEBI ID | CHEBI:179379 |
| FEMA number | 2550 |
| JECFA number | 190 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 212.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 98 °C (10 mmHg) |
| Density | 0.8625 (15 °C/15 °C) |
| Refractive Index | 1.417-1.421 |
Heptyl 2-methylpropanoate; HEPTYL ISOBUTYRATE; 2349-13-5; Isobutyric acid, heptyl ester; Propanoic acid, 2-methyl-, heptyl ester; Heptyl iobutyrate; FEMA No. 2550; FE997Z53QF; EINECS 219-076-3; AI3-21506; DTXSID6062339; HEPTYL ISOBUTYRATE [FHFI]; RefChem:783740; DTXCID1036880; 219-076-3; Heptyl isobutanoate
| 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 | 2.5% (1 / 40) |
| GHS notification summary | 2.5% (1 / 40) |
|---|---|
| Reported hazard statements | H315 (97.5%), H319 (97.5%), H335 (97.5%) |
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
heptyl isobutyrate is identified by CAS 2349-13-5, molecular formula C11H22O2 and molecular weight 186.16 g/mol. UNII FE997Z53QF; ChEBI 179379; InChIKey RFDUMBPGZUIKOG-UHFFFAOYSA-N. Boiling Point: 212.00 °C. @ 760.00 mm Hg; Boiling Point: 98 °C (10 mmHg); Density: 0.8625 (15 °C/15 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: heptyl isobutyrate