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Ethyl 3-(2-furyl)propionate
Dangerous GoodsCAS number：10031-90-0 molecular formula：C9H12O3
overview
Specs
| Chinese alias | 3-(呋喃-2-基)丙酸乙酯 | 2-呋喃丙酸乙酯 | 乙基2-呋喃丙酸酯 | 2-呋喃丙酸乙酯 | ||
| English alias | Ethyl 2-furanpropionate | Ethyl 3-(furan-2-yl)propanoate | 3-Furan-2-yl-propionic Acid Ethyl Ester | 2-Furanpropanoic acid，ethyl ester | Ethyl furfhydracrylate | 2-Furanpropionic acid,ethyl | ||
| CAS number | 10031-90-0 | molecular formula | C9H12O3 |
| molecular weight | 168.19 g/mol | Exact mass | ≥98% |
| PSA | 39.400 Ų | logp | 1.400 |
numbering system
| CAS | 10031-90-0 |
| UNII | 2RAP445QD8 |
| HMDB ID | HMDB0032921 |
| ChEBI ID | 173767 |
| Wikidata | Q27255504 |
| NSC Number | NSC Number: NSC97529 |
| FEMA Number | 2435 |
| PubChem CID | 61450 |
| JECFA Number | 1513 |
| Nikkaji Number | J241.236E |
| DSSTox Substance ID | DTXSID0064917 |
| Metabolomics Workbench ID | 45784 |
| European Community (EC) Number | 233-097-5 |
| PubChem Reference Collection SID | 500782022 |
| MEP ID | _25Q1B3FMN |
physicochemical properties
| XLogP3 | 1.4 |
| Density | 1.051-1.058 |
| Complexity | 145 |
| Exact Mass | 168.078644241 |
| Fragrances | Fragrance Ingredient (Ethyl 3(2-furyl)propanoate) -> IFRA transparency List |
| Solubility | Soluble (in ethanol) |
| Boiling Point | 260.00 °C. @ 760.00 mm Hg |
| Formal Charge | 0 |
| Melting Point | 24.5 °C |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Flavoring Agents | EU Flavoring substances |
| Heavy Atom Count | 12 |
| Molecular Weight | 168.19 |
| Refractive Index | 1.455-1.462 |
| Monoisotopic Mass | 168.078644241 |
| Isotope Atom Count | 0 |
| Physical Description | Yellow liquid; Fruity pineapple aroma |
| Rotatable Bond Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Topological Polar Surface Area | 39.4 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: 2-Furanpropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Flam. Liq. 3 (91.9%)
Production methods and uses
purpose
Uses：
CPDat Function Use: cpdatfun
Use Classification：
Flavoring Agents -> JECFA Flavorings Index
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
10031-90-0 | Ethyl 3-(furan-2-yl)propionate.pdf
