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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 |
| jecfa number : | 450 |
| fl. number : | 13.018 |
| molar refractivity : | 25.30 ± 0.3 cm3 |
| parachor : | 206.3 ± 4.0 cm3 |
| index of refraction : | 1.515 ± 0.02 |
| surface tension : | 36.5 ± 3.0 dyne/cm |
| density : | 1.145 ± 0.06 g/cm3 |
| polarizability : | 10.03 ± 0.5 10-24cm3 |
| xlogp : | 0.40 |
| molecular weight : | 96.0840600 |
| formula : | C5 H4 O2 |
| BioActivity Analysis : | 74455 |
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| export tariff code : | 2932.12.0000 |
| fda reg : | 175.105 |
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 |
| Mooreganics : | Furfural
Natural (Organic Compliant) |
| Penta : | furfural
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| Penta : | furfural
natural |
| Sigma-Aldrich-SAFC : | 2-Furaldehyde
≥98%, FCC, Kosher Odor: almond; woody; sweet |
| Sigma-Aldrich-SAFC : | 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 :¹ at 1.00 % in dipropylene glycol. | sweet woody almond fragrant baked bread |
| odor sample from : | Sigma-Aldrich Inc. |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.15300 to 1.16200 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.594 to 9.669
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| refractive index : | 1.52100 to 1.52900 @ 20.00 °C.
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| melting point : | -36.00 °C. @ 760.00 mm Hg
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| boiling point : | 161.00 to 162.00 °C. @ 760.00 mm Hg
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| boiling point : | 72.00 °C. @ 25.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 2.21000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.31 ( Air = 1 ) |
| flash point : | 137.00 °F. TCC ( 58.33 °C. )
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| logp : | 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
Oral-Mouse 400.00 mg/kg
intravenous-Mouse 152.00 mg/kg
Intraperitoneal-Mouse 102.00 mg/kg
Oral-Guineapig 541.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 620.00 mg/kg
Subcutaneous-Rat 148.00 mg/kg
Subcutaneous-Mouse 119.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat 175.00 ppm/6H
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 440.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 460.00 (μg/capita/day) |
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| recommendation for furfural usage levels up to : |
| | not for fragrance use.
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| recommendation for 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 |
| 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
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| (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
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| fl. number : | 13.018 |
| jecfa number : | 450 |
| NIST Chemistry WebBook : | 993960364 |
| pubchem : | 150426 |
Cosmetics :
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| Cosmetic uses : |
solvents
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other :
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| reference : | Luebke, William tgsc, (1995)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |