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| IUPAC name : | tridec-2-enal |
| InChI : | InChI=1/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3 |
| InChIKey : | VMUNAKQXJLHODT-UHFFFAOYAB |
| SMILES : | CCCCCCCCCCC=CC=O |
| cas number : | 7774-82-5 |
| (EINECS) number : | 231-883-2 |
| fema number : | 3082 |
| coe number : | 2011 |
| jecfa number : | 1359 |
| fl. number : | 05.078 |
| molar refractivity : | 62.52 ± 0.3 cm3 |
| parachor : | 545.4 ± 4.0 cm3 |
| index of refraction : | 1.446 ± 0.02 |
| surface tension : | 29.4 ± 3.0 dyne/cm |
| density : | 0.838 ± 0.06 g/cm3 |
| polarizability : | 24.78 ± 0.5 10-24cm3 |
| XlogP : | 5.80 |
| molecular weight : | 196.3290600 |
| formula : | C13 H24 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.19.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Bedoukian Research : | 2-TRIDECENAL (HIGH TRANS)
≥92.0% (trans), FCC, Kosher Odor: A powerful odor reminiscent of cilantro or coriander |
| Citrus and Allied Essences : | trans-2-tridecenal
Odor: strong citrus peel waxy |
| Penta : | trans-2-tridecenal
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| Robertet : | Tridécénal
naturel |
| Sigma-Aldrich-SAFC : | trans-2-Tridecenal
≥92%, FCC, Kosher Odor: citrus; waxy |
organoleptics :
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| odor type : | aldehydic |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | powerful waxy citrus peel tangerine |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 92.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.84200 to 0.86200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.006 to 7.173
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| refractive index : | 1.45700 to 1.46000 @ 20.00 °C.
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| boiling point : | 115.00 to 118.00 °C. @ 10.00 mm Hg
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| boiling point : | 106.00 to 108.00 °C. @ 0.28 mm Hg
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| acid value : | 5.00 max. KOH/g
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| vapor pressure : | 0.40000 mm/Hg @ 20.00 °C. |
| flash point : | 235.00 °F. TCC ( 112.78 °C. )
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| logP (o/w) : | 5.30 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.
Oral-Mouse >5000.00 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.
Skin-Guineapig >5000.00 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.
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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 2-tridecen-1-al usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for 2-tridecen-1-al usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| 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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| | tridec-2-enal
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| (EINECS) number : | 231-883-2 |
| RTECS : | YD4593000 for 7774-82-5 |
| chemidplus : | 007774825 |
| EPA Substance Registry Services : | 7774-82-5 |
references :
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| | tridec-2-enal
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| fl. number : | 05.078 |
| jecfa number : | 1359 |
| NIST Chemistry WebBook : | 7774825 |
| pubchem : | 11409699 |
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 |