Ethyl 3(2-furyl)propanoate (CAS 10031-90-0) — formula C9H12O3, molecular weight 168.08 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Furanpropanoic acid, ethyl ester: ACTIVE.
Ethyl 3(2-furyl)propanoate is a chemical compound with CAS registry number 10031-90-0 and molecular formula C9H12O3 (molecular weight 168.08 g/mol).
CAS number: 10031-90-0
Its molecular formula C9H12O3 comprises 9 C, 12 H, 3 O atoms.
Also known as: Ethyl 3(2-furyl)propanoate · Ethyl 3-(2-furyl)propionate
The CAS registry number of Ethyl 3(2-furyl)propanoate is 10031-90-0.
Molecular formula C9H12O3, molecular weight 168.08 g/mol.
It is also registered under: Ethyl 3(2-furyl)propanoate, Ethyl 3-(2-furyl)propionate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Furanpropanoic acid, ethyl ester: ACTIVE.
Public-database records for Ethyl 3(2-furyl)propanoate (CAS 10031-90-0), reproduced here for independent cross-checking.
| GHS notification summary | 5.6% (78 / 1400) |
|---|---|
| Reported hazard statements | H226 (91.9%) |
This chemical does not meet GHS hazard criteria for 5.6% (78 of 1400) of reports.
H226 (91.9%): Flammable liquid and vapor [Warning Flammable liquids]
| 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 | 5.6% (78 / 1400) |
| 沸点 | 260.00 °C. @ 760.00 mm Hg |
|---|---|
| 熔点 | 24.5 °C |
| 密度 | 1.051-1.058 |
| 折射率 | 1.455-1.462 |
| CAS Registry Number | 10031-90-0 |
|---|---|
| PubChem CID | 61450 |
| 分子式 | C9H12O3 |
| 分子量 | 168.08 g/mol |
| IUPAC 名称 | ethyl 3-(furan-2-yl)propanoate |
| InChIKey | OWIWZQQFSTZZIG-UHFFFAOYSA-N |
| UNII（FDA） | 2RAP445QD8 |
| ChEBI 编号 | CHEBI:173767 |
| FEMA 编号 | 2435 |
| JECFA 编号 | 1513 |
10031-90-0; Ethyl 3-(2-furyl)propionate; ethyl 3-(furan-2-yl)propanoate; Ethyl 2-furanpropionate; 2-Furanpropanoic acid, ethyl ester; Ethyl 3-(2-furyl)propanoate; Ethyl furfhydracrylate; 2-Furanpropionic acid, ethyl ester; Ethyl 2-furanpropanoate; Ethyl furfurylhydracrylate; Ethyl beta-furylpropionate; FEMA No. 2435; Ethyl 3-(alpha-furyl)propionate; UNII-2RAP445QD8; Ethyl .beta.-furylpropionate; 2RAP445QD8
| 分子量 | 168.19 |
|---|---|
| XLogP3 | 1.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 168.078644241 |
| 单同位素质量 | 168.078644241 |
| 拓扑极性表面积 | 39.4 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
Ethyl 3(2-furyl)propanoate is identified by CAS 10031-90-0, molecular formula C9H12O3 and molecular weight 168.08 g/mol. UNII 2RAP445QD8; ChEBI 173767; InChIKey OWIWZQQFSTZZIG-UHFFFAOYSA-N. 沸点: 260.00 °C. @ 760.00 mm Hg; 熔点: 24.5 °C; 密度: 1.051-1.058.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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