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| IUPAC name : | (E)-dodec-2-enal |
| InChI : | InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+ |
| InChIKey : | SSNZFFBDIMUILS-ZHACJKMWBA |
| SMILES : | CCCCCCCCC\C=C\C=O |
| cas number : | 20407-84-5 |
| (EINECS) number : | 243-797-2 |
| beilstein number : | 2434537 |
| fema number : | 2402 |
| coe number : | 124 |
| fl. number : | 05.144 |
| molar refractivity : | 57.88 ± 0.3 cm3 |
| parachor : | 506.6 ± 4.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.837 ± 0.06 g/cm3 |
| polarizability : | 22.94 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 182.3024800 (IUPAC) |
| formula : | C12 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Apple : | trans-2-Dodecen-1-al
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| Bedoukian Research : | 2-DODECENAL (HIGH TRANS)
≥93.0% (trans), FCC, Kosher Odor: waxy, mandarin orange. |
| Firmenich : | MANDARINE ALDEHYDE 10% CITR
Odor: Powerful complex odour of bitter orange, mandarin and coriander. |
| Fontarome : | T2-DODECENAL
Odor: Powerful citrus odor, fatty |
| Frutarom : | trans-2-DODECENAL
≥98.00%, NI, Kosher Odor: Citrus, Mandarin, Orange. |
| Penta : | trans-2-dodecenal
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| Sigma-Aldrich-SAFC : | trans-2-Dodecenal
≥93%, FCC, Kosher Odor: orange; fatty; herbaceous. |
| Symrise : | Mandarin aldehyde
10% in TEC |
| Vigon : | Mandarine Aldehyde 10
Odor: CITRUS, ALDEHYDIC |
organoleptics :
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| odor type : | citrus |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | citrus metallic mandarin orange waxy aldehydic |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 72 hour(s) at 10.00 % in dipropylene glycol |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.83900 to 0.84900 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.981 to 7.065
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| refractive index : | 1.46200 to 1.46400 @ 20.00 °C.
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| boiling point : | 73.00 to 74.00 °C. @ 0.50 mm Hg
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| boiling point : | 125.00 to 128.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.01000 mm/Hg @ 20.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.76 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 38 - Irritating to 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 - Wear suitable protective clothing.
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| Human experience : | 1 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 5000.00 gm/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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| recommendation for (E)-2-dodecen-1-al usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for (E)-2-dodecen-1-al usage levels up to : |
| | 3.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1760 |
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| WGK Germany : | 2 |
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| | (E)-dodec-2-enal
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| (EINECS) number : | 243-797-2 |
| RTECS : | JR5150000 for 20407-84-5 |
| chemidplus : | 020407845 |
| EPA Substance Registry Services : | 20407-84-5 |
references :
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| | (E)-dodec-2-enal
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| fl. number : | 05.144 |
| NIST Chemistry WebBook : | 2669064863 |
| pubchem : | 665331 |
other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| VCF-Online: | VCF Volatile Compounds in Food |