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| IUPAC name : | 5-methylfuran-2-carbaldehyde |
| InChI : | InChI=1/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3 |
| InChIKey : | OUDFNZMQXZILJD-UHFFFAOYAE |
| SMILES : | CC1=CC=C(O1)C=O |
| cas number : | 620-02-0 |
| (EINECS) number : | 210-622-6 |
| beilstein number : | 0106895 |
| fema number : | 2702 |
| coe number : | 119 |
| fl. number : | 13.001 |
| molar refractivity : | 30.13 ± 0.3 cm3 |
| parachor : | 243.9 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 35.1 ± 3.0 dyne/cm |
| density : | 1.099 ± 0.06 g/cm3 |
| polarizability : | 11.94 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| molecular weight : | 110.1106400 |
| formula : | C6 H6 O2 |
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| export tariff code : | 2932.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | 5-methyl furfural
99% min. (mixed isomers) natural Odor: Caramel, Spicy, Sweet |
| Advanced Biotech : | 5-methyl furfural
99% min. (mixed isomers) synthetic Odor: Caramel, Sweet |
| Bedoukian Research : | 5-METHYL FURFURAL
≥99.0%, Kosher Odor: spicy, caramel, almond |
| Fontarome : | 5-METHYL FURFURAL
Odor: Caramel, nut |
| Frutarom : | 5-METHYLFURFURAL
≥99.00%, NI, Kosher Odor: Nutty, Caramel, Roast Burnt |
| Mooreganics : | 5-Methyl Furfural 50%
Natural (Organic Compliant) |
| Penta : | 5-methyl furfural
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| Sigma-Aldrich-SAFC : | 5-Methyl furfural
≥98%, Kosher, FG Odor: almond; caramel; spicy; sweet |
| Treatt : | 5-Methylfurfural
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| Vigon : | Methyl-5 Furfural
Odor: SPICY, CARAMEL |
organoleptics :
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| odor type : | caramellic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | spice caramel maple |
properties :
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| appearence : | yellow to orange clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09800 to 1.10800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.136 to 9.220
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| refractive index : | 1.52500 to 1.53200 @ 20.00 °C.
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| boiling point : | 89.00 to 90.00 °C. @ 26.00 mm Hg
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| boiling point : | 187.00 to 189.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 1.92000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.7 ( Air = 1 ) |
| flash point : | 163.00 °F. TCC ( 72.78 °C. )
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| logP (o/w) : | 0.67 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 37/39 - Wear suitable gloves and eye/face protection.
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| Human experience : | 2 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 2200.00 mg/kg (Moreno, 1978g)
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 140.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 25.00 (μg/capita/day) |
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| recommendation for 5-methyl furfural usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for 5-methyl furfural 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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 5-methylfuran-2-carbaldehyde
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| (EINECS) number : | 210-622-6 |
| RTECS : | LT7032500 for 620-02-0 |
| chemidplus : | 000620020 |
| EPA Substance Registry Services : | 620-02-0 |
references :
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| | 5-methylfuran-2-carbaldehyde
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| fl. number : | 13.001 |
| NIST Chemistry WebBook : | 4293097746 |
| pubchem : | 155411 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |