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| IUPAC Name - | furan-2-carbaldehyde |
| InChI - | InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| InChIKey - | HYBBIBNJHNGZAN-UHFFFAOYAD |
| SMILES - | C1=COC(=C1)C=O |
| CAS Number : | 98-01-1 |
| (EINECS) Number : | 202-627-7 |
| EU Annex : | 605-010-00-4 |
| Beilstein Number : | 0105755 |
| FEMA Number : | 2489 |
| COE Number : | 2014 |
| Molar Refractivity : | 25.30 ± 0.3 cm3 (est) |
| Parachor : | 206.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.515 ± 0.02 (est) |
| Surface Tension : | 36.5 ± 3.0 dyne/cm (est) |
| Density : | 1.145 ± 0.06 g/cm3 (est) |
| Polarizability : | 10.03 ± 0.5 10-24cm3 (est) |
| XlogP : | 0.40 (est) |
| Molecular Weight : | 96.0840600 (IUPAC) (PT) (112) |
| Formula : | C5 H4 O2 |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavoring agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 450
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| Fl@vouring Number : | 13.018
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| FDA Mainterm : | FURFURAL. |
| FDA Regulation. : | FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart B--Substances for Use Only as Components of Adhesives Sec. 175.105 Adhesives.
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Suppliers :
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| Advanced Biotech : | furfural
98% min. natural |
| Advanced Biotech : | furfural
96% min. synthetic |
| Endeavour : | 2-Furaldehyde
98% |
| Fleurchem : | furfural
natural |
| Frutarom : | FURFURAL (FURFURALDEHYDE) REDIST
≥99.00%, NI, Kosher Odor: Almond, Caramel, Sweet, Woody Suggested Uses: Bakery, Cocoa, Coffee, Cranberry, Dairy Products, Meat |
| Inoue : | FURFURAL
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| Mooreganics : | Furfural
Natural (Organic Compliant) Odor: SWEET, WOODY, ALMOND, BREAD-LIKE, CARAMELLIC |
| Penta : | furfural
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| Penta : | furfural
natural |
| SAFC Global® : | 2-Furaldehyde
≥98%, FCC, Kosher Odor: almond; woody; sweet |
| SAFC Global® : | 2-Furaldehyde
≥98%, natural, FCC, Kosher Odor: almond; woody; sweet |
Organoleptics :
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| Odor Type : | bready |
| Odor Strength : | medium , recommend smelling in a 1.00 % solution or less |
Odor Description: at 1.00 % in dipropylene glycol. | sweet woody almond fragrant baked bread Luebke, William tgsc, (1995) |
| Odor sample from : | Sigma-Aldrich Inc. |
Odor Description:
| Sweet, brown, woody, bready, caramellic, with a slight phenolic nuance Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
Taste Description: at 30.00 ppm. | Brown, sweet, woody, bready, nutty, caramellic with a burnt astringent nuance Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Substantivity : | 4 Hour(s) |
Properties :
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| Appearence : | colorless to pale yellow clear oily liquid |
| Food Chemicals Codex Listed : | Yes |
| Vapor Pressure : | 2.21000 mm/Hg @ 25.00 °C. |
| Vapor Density : | 3.31 ( Air = 1 ) |
| Flash Ppoint : | 137.00 °F. TCC ( 58.33 °C. )
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| logP (o/w) : | 0.41 |
| Shelf Life : | 12.00 month(s) or longer if stored properly. |
| Storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
Safety :
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| Most important hazard(s) : | T - Toxic. |
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R 21 - Harmful in contact with skin. R 23 - Toxic by inhalation. R 25 - Toxic if swallowed. R 36/37 - Irritating to eyes and respiratory system. R 40 - Limited evidence of a carcinogenic effect. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Oral Toxicity(LD50) : | |
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Gavage-Rat [sex: M,F] M:145-204 F:90-119 mg/kg (Brown, 1982)
Oral-Rat 65.00 mg/kg Bromatologia i Chemia Toksykologiczna. Vol. 13, Pg. 371, 1980.
Oral-Mouse 400.00 mg/kg Biochemical Journal. Vol. 34, Pg. 1196, 1940.
intravenous-Mouse 152.00 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
Intraperitoneal-Mouse 102.00 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
Oral-Guineapig 541.00 mg/kg Hygiene and Sanitation Vol. 32(5), Pg. 158, 1967.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 620.00 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
Subcutaneous-Rat 148.00 mg/kg "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.
Subcutaneous-Mouse 119.00 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
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| Inhalation Toxicity(LC50) : | |
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Inhalation-Rat 175.00 ppm/6H American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989.
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Safety in Use :
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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 440.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 460.00 (μg/capita/day) |
| Structure Class : | II |
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| Recommendation for furfural fragrance usage levels up to : |
| | not for fragrance use.
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| Recommendation for furfural flavor usage levels up to : |
| | 50.0000 ppm in the flavor.
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Safety References :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 1199 |
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| WGK Germany : | 2 |
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| | furan-2-carbaldehyde |
| BioActivity Analysis : | 74455 |
| (EINECS) Number : | 202-627-7 |
| RTECS : | 98-01-1 |
| Chemidplus : | 000098011 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 98-01-1 |
| dtp/nci : | 8841 |
References :
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| | furan-2-carbaldehyde |
| NIST Chemistry WebBook : | 993960364 |
| Pubchem : | 150426 |
| Flavornet : | 98-01-1 |
Cosmetics :
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| Cosmetic Uses : |
solvents
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Other :
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| Export Tariff Code : | 2932.12.0000 |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |