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furfuryl butyrate
General Material Information
| Preferred name | furfuryl butyrate |
| Trivial Name | Furfuryl butyrate |
| Short Description | furan-2-ylmethylbutanoate |
| Formula | C9 H12 O3 |
| CAS Number | 623-21-2 |
| Flavis Number | 13.13 |
| ECHA Number | 210-779-0 |
| FDA UNII | Search |
| Nikkaji Number | J47.700A |
| MDL | MFCD00082962 |
| COE Number | 638 |
| xLogP3-AA | 1.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 759 furfuryl butyrate |
| FDA Mainterm | 623-21-2 ; FURFURYL BUTYRATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| furan-2-ylmethyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 623-21-2 |
| Pubchem (cid): | 61167 |
| Pubchem (sid): | 135018304 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Flavoring agent | |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB37729 |
| FooDB: | FDB016859 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Suppliers
| Augustus Oils | BOC Sciences |
| Ernesto Ventós | Penta International |
| Reincke & Fichtner | Sigma-Aldrich |
| Synerzine | Augustus Oils Ltd |
| Penta International Corporation | Taytonn ASCC |
| Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 168.1922454834 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.731 to 8.781 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.745 to 8.795 |
| Refractive Index | 1.457 to 1.462 @ 20 °C |
| Boiling Point | 129 to 130°C @ 52 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.195 mmHg @ 25 °C |
| Vapor Density | 5.7 |
| Flash Point TCC Value | 90.56 °C TCC |
| logP (o/w) | 2.121 est |
| Solubility | |
| alcohol | Yes |
| water, 524.5 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| grape, fruity, green | |
| General comment | At 100.00 %. grape fruity green |
| Flavor Type: Fruity | |
| fruity, gooseberry | |
| General comment | Fruity gooseberry-like |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Fruit |
| Flavoring purposes | Bakery , Banana , Coffee , Dairy , Grape , Licorice , Pork |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for furfuryl butyrate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61167 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| furan-2-ylmethyl butanoate |
| Chemidplus:0000623212 |