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| IUPAC name : | pentanal |
| InChI : | InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| InChIKey : | HGBOYTHUEUWSSQ-UHFFFAOYAJ |
| SMILES : | CCCCC=O |
| cas number : | 110-62-3 |
| (EINECS) number : | 203-784-4 |
| beilstein number : | 1616304 |
| fema number : | 3098 |
| coe number : | 93 |
| jecfa number : | 89 |
| fl. number : | 05.005 |
| molar refractivity : | 25.40 ± 0.3 cm3 |
| parachor : | 239.9 ± 4.0 cm3 |
| index of refraction : | 1.384 ± 0.02 |
| surface tension : | 24.0 ± 3.0 dyne/cm |
| density : | 0.794 ± 0.06 g/cm3 |
| polarizability : | 10.06 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| molecular weight : | 86.1323000 (IUPAC) |
| formula : | C5 H10 O |
| BioActivity Analysis : | 17389654 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.10 |
| fda reg : | 172.515 |
Suppliers :
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| BASF : | N-Valeraldehyde
≥ 96% (CGC) Odor: Dry, fruity, nutty |
| Berje : | N-Valeraldehyde
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| Cargill - Alfrebro : | n-VALERALDEHYDE
natural, Kosher |
| Fontarome : | VALERALDEHYDE
Odor: Very powerful and diffusive, penetrating, acrid-pungent |
| Penta : | valeraldehyde
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| Penta : | valeraldehyde
natural |
| Sigma-Aldrich-SAFC : | Valeraldehyde
≥97%, FCC, Kosher Odor: nutty; fruity; vanilla; woody If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
organoleptics :
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| odor type : | fermented |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | fermented bready fruity nutty berry |
odor description³ :
| Diffusive, fermented, bready, fruity with berry nuances |
taste description³ : at 25.00 ppm. | Winey, fermented, bready, cocoa chocolate notes |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.80500 to 0.80900 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.698 to 6.732
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| refractive index : | 1.39000 to 1.39500 @ 20.00 °C.
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| melting point : | -92.00 °C. @ 760.00 mm Hg
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| boiling point : | 102.00 to 103.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| vapor pressure : | 26.00000 mm/Hg @ 20.00 °C. |
| vapor density : | 3.0 ( Air = 1 ) |
| flash point : | 55.00 °F. TCC ( 12.78 °C. )
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| logP (o/w) : | 1.31 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 11 - Highly flammable. R 20 - Harmful by inhalation. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 5660.00 ul/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
Oral-Mouse 6400.00 mg/kg
Intraperitoneal-Rat 400.00 mg/kg
Intraperitoneal-Mouse 200.00 mg/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 5.00 ml/kg National Technical Information Service. Vol. OTS0535072
Skin-Guineapig 20000.00 mg/kg
Subcutaneous-Mouse 2000.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
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| recommendation for valeraldehyde fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for valeraldehyde flavor usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| 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 |
| 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 |
| WISER : | UN 2058 |
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| WGK Germany : | 1 |
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| | pentanal |
| (EINECS) number : | 203-784-4 |
| RTECS : | 110-62-3 |
| chemidplus : | 000110623 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 110-62-3 |
| dtp/nci : | 35404 |
references :
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| | pentanal |
| fl. number : | 05.005 |
| jecfa number : | 89 |
| NIST Chemistry WebBook : | 2748920556 |
| pubchem : | 151183 |
| Flavornet : | 110-62-3 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Mosciano, Gerard P&F 19, No. 2, 55, (1994)³ |
| 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 |