Isobutyl 3-(2-furan)propionate (CAS 105-01-1) — formula C11H16O3, molecular weight 196.11 g/mol.
Isobutyl 3-(2-furan)propionate is a chemical compound with CAS registry number 105-01-1 and molecular formula C11H16O3 (molecular weight 196.11 g/mol).
CAS number: 105-01-1
Its molecular formula C11H16O3 comprises 11 C, 16 H, 3 O atoms.
Also known as: Isobutyl 3-(2-furan)propionate · isobutyl furan-2-propionate
The CAS registry number of Isobutyl 3-(2-furan)propionate is 105-01-1.
Molecular formula C11H16O3, molecular weight 196.11 g/mol.
It is also registered under: Isobutyl 3-(2-furan)propionate, isobutyl furan-2-propionate.
Public-database records for Isobutyl 3-(2-furan)propionate (CAS 105-01-1), reproduced here for independent cross-checking.
| 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]
| 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) |
| 沸点 | 105.00 °C. @ 3.00 mm Hg |
|---|---|
| 沸点 | 105 (3 mm Hg) |
| 密度 | 1.007-1.013 |
| 折射率 | 1.531-1.537 |
| CAS Registry Number | 105-01-1 |
|---|---|
| PubChem CID | 7733 |
| 分子式 | C11H16O3 |
| 分子量 | 196.11 g/mol |
| IUPAC 名称 | 2-methylpropyl 3-(furan-2-yl)propanoate |
| InChIKey | SVDPTFHRRNUNRS-UHFFFAOYSA-N |
| UNII（FDA） | VTW5O0BY7T |
| ChEBI 编号 | CHEBI:169336 |
| FEMA 编号 | 2198 |
| JECFA 编号 | 1514 |
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
| 分子量 | 196.24 |
|---|---|
| XLogP3 | 2.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 6 |
| 精确质量 | 196.109944368 |
| 单同位素质量 | 196.109944368 |
| 拓扑极性表面积 | 39.4 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
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. 沸点: 105.00 °C. @ 3.00 mm Hg; 沸点: 105 (3 mm Hg); 密度: 1.007-1.013.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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