2-丙酸呋喃异丁酯（CAS 105-01-1）：分子式 C11H16O3、分子量 196.24。
| CAS号 | 105-01-1 |
|---|---|
| 分子式 | C11H16O3 |
| 分子量 | 196.24 |
| 沸点 | 105.00 °C. @ 3.00 mm Hg |
| LogP | 2.3 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Furanpropanoic acid、2-methylpropyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Furanpropanoic acid、2-methylpropyl ester: ACTIVE。
2-丙酸呋喃异丁酯 是一种化工化合物，登记 CAS 号为 105-01-1，分子式 C11H16O3（分子量 196.24）。
登记 CAS 号：105-01-1
其分子式 C11H16O3 由 11 个碳、16 个氢、3 个氧 组成。
别名/同义词：2-丙酸呋喃异丁酯 · isobutyl furan-2-propionate · Isobutyl 3-(2-furan)propionate
2-丙酸呋喃异丁酯 的 CAS 登记号为 105-01-1。
分子式 C11H16O3，分子量 196.24。
别名/同义词：2-丙酸呋喃异丁酯、isobutyl furan-2-propionate、Isobutyl 3-(2-furan)propionate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Furanpropanoic acid、2-methylpropyl ester: ACTIVE。
2-丙酸呋喃异丁酯（CAS 105-01-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 105-01-1 |
|---|---|
| PubChem CID | 7733 |
| Molecular formula | C11H16O3 |
| Molecular weight | 196.11 g/mol |
| IUPAC name | 2-methylpropyl 3-(furan-2-yl)propanoate |
| InChIKey | SVDPTFHRRNUNRS-UHFFFAOYSA-N |
| UNII (FDA) | VTW5O0BY7T |
| ChEBI ID | CHEBI:169336 |
| FEMA number | 2198 |
| JECFA number | 1514 |
| Molecular Weight | 196.24 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 196.109944368 |
| Monoisotopic Mass | 196.109944368 |
| Topological Polar Surface Area | 39.4 |
| Heavy Atom Count | 14 |
| Boiling Point | 105.00 °C. @ 3.00 mm Hg |
|---|---|
| Boiling Point | 105 (3 mm Hg) |
| Density | 1.007-1.013 |
| Refractive Index | 1.531-1.537 |
105-01-1; Isobutyl furfurylacetate; Isobutyl 2-furanpropionate; 2-methylpropyl 3-(furan-2-yl)propanoate; 2-Methylpropyl 2-furanpropanoate; Isobutyl-2-furanpropionate; Isobutyl 3-(2-furyl)propanoate; Isobutyl furan-2-propionate; FEMA No. 2198; 2-Furanpropanoic acid, 2-methylpropyl ester; 2-FURANPROPIONIC ACID, ISOBUTYL ESTER; Isobutyl 3-(2-furan)propionate; VTW5O0BY7T; EINECS 203-261-0; BRN 4991049; DTXSID4051532
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral 2-METHYLPROPYL 3-(2-FURYL)PROPANOATE |
|---|---|
| GHS notification summary | 88.8% (308 / 347) |
| GHS notification summary | 88.8% (308 / 347) |
|---|---|
| Reported hazard statements | H302 (11.2%), H312 (11.2%) |
This chemical does not meet GHS hazard criteria for 88.8% (308 of 347) of all reports.
H302 (11.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Isobutyl 3-(2-furan)propionate is identified by CAS 105-01-1, molecular formula C11H16O3 and molecular weight 196.11 g/mol. UNII VTW5O0BY7T; ChEBI 169336; InChIKey SVDPTFHRRNUNRS-UHFFFAOYSA-N. Boiling Point: 105.00 °C. @ 3.00 mm Hg; Boiling Point: 105 (3 mm Hg); Density: 1.007-1.013.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: isobutyl furan-2-propionate