butyl 2-furoate
2-furoic acid, butyl ester
Identification
| Name | butyl 2-furoate |
| IUPAC | butyl furan-2-carboxylate |
| CAS Number | 583-33-5 |
| FDA UNII | 1F9715415C |
| Molecular Formula | C9 H12 O3 |
| Molecular Weight | 168.19224000 |
| MDL Number | MFCD00797966 |
| Nikkaji Number | J21.617H |
| Beilstein | 0117938 |
| XlogP3 | 2.40 (est) |
Regulatory
| DG SANTE Food Flavourings | 13.102 butyl 2-furoate |
Physical Properties
| Appearance | pale yellow oily liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.05200 to 1.05800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.754 to 8.804 |
| Refractive Index | 1.46900 to 1.47500 @ 20.00 °C. |
| Boiling Point | 83.00 to 84.00 °C. @ 1.00 mm Hg, 233.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.061000 mmHg @ 25.00 °C. (est) |
| Flash Point | 199.00 °F. TCC ( 92.78 °C. ) |
| logP (o/w) | 2.631 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Taste Description | floral earthy |
Safety Information
| Oral/Parenteral Toxicity | oral-mouse LD50 1500 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for butyl 2-furoate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Adequate NOAEL exists | Yes |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Potential Uses
Natural Occurrence
Synonyms
butyl 2-furan carboxylate
butyl 2-furancarboxylate
butyl furan-2-carboxylate
butyl furoate
2-
furan carboxylic acid butyl ester
2-
furancarboxylic acid butyl ester
2-
furancarboxylic acid, butyl ester
2-
furanecarboxylic acid, 2-butyl ester
2-
furoic acid N-butyl ester
2-
furoic acid, butyl ester
2-
furoic acid, n-butyl ester
US Patents:
3,952,024 - Furfurylthioacetone
US Patents:
Flavoring agent