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| IUPAC name : | (2E,4E)-hexa-2,4-dienal |
| InChI : | InChI=1/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+ |
| InChIKey : | BATOPAZDIZEVQF-MQQKCMAXBJ |
| SMILES : | C\C=C\C=C\C=O |
| cas number : | 142-83-6 |
| (EINECS) number : | 205-564-3 |
| beilstein number : | 1698401 |
| fema number : | 3429 |
| coe number : | 640 |
| jecfa number : | 1175 |
| fl. number : | 05.057 |
| molar refractivity : | 30.14 ± 0.3 cm3 |
| parachor : | 254.1 ± 4.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 26.4 ± 3.0 dyne/cm |
| density : | 0.857 ± 0.06 g/cm3 |
| polarizability : | 11.95 ± 0.5 10-24cm3 |
| XlogP : | 1.50 |
| molecular weight : | 96.1271200 |
| formula : | C6 H8 O |
| BioActivity Analysis : | 17389387 |
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| IUPAC name : | hexa-2,4-dienal |
| InChI : | InChI=1/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3 |
| InChIKey : | BATOPAZDIZEVQF-UHFFFAOYAP |
| SMILES : | CC=CC=CC=O |
| cas number : | 80466-34-8 |
| fema number : | 3429 |
| molar refractivity : | 30.14 ± 0.3 cm3 |
| parachor : | 254.1 ± 4.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 26.4 ± 3.0 dyne/cm |
| density : | 0.857 ± 0.06 g/cm3 |
| polarizability : | 11.95 ± 0.5 10-24cm3 |
| XlogP : | 1.50 |
| molecular weight : | 96.1271200 |
| formula : | C6 H8 O |
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| export tariff code : | 2912.19.9000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | 2,4-HEXADIEN-1-AL
≥80.0% (trans,trans), Kosher Odor: Fatty, sweet, green aldehydic odor with a spicy finish. |
| Fontarome : | T2 T4-HEXADIENAL
Odor: Very diffusive green odor, slightly pungent and fatty |
| Penta : | 2,4-hexadienal
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| Sigma-Aldrich-SAFC : | trans,trans-2,4-Hexadienal
≥95% Odor: green; citrus; floral |
organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet green spicy floral citrus |
properties :
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| appearence : | yellow clear liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88800 to 0.89800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.389 to 7.472
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| refractive index : | 1.53800 to 1.54500 @ 20.00 °C.
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| boiling point : | 69.00 °C. @ 20.00 mm Hg
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| boiling point : | 173.00 to 174.00 °C. @ 754.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| vapor pressure : | 4.81000 mm/Hg @ 25.00 °C. |
| flash point : | 130.00 °F. TCC ( 54.44 °C. )
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| logP (o/w) : | 1.37 |
safety :
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| most important hazard(s) : | T - Toxic. |
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R 10 - Flammable. R 22 - Harmful if swallowed. R 24 - Toxic in contact with skin. R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Oral-Rat 300.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 270.00 ul/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,E)-2,4-hexadien-1-al usage levels up to : |
| | not for fragrance use.
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| recommendation for (E,E)-2,4-hexadien-1-al usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2922 |
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| WGK Germany : | 3 |
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| | (2E,4E)-hexa-2,4-dienal
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| (EINECS) number : | 205-564-3 |
| RTECS : | WG1925000 for 142-83-6 |
| chemidplus : | 000142836 |
| EPA Substance Registry Services : | 142-83-6 |
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| | hexa-2,4-dienal
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| chemidplus : | 080466348 |
| EPA Substance Registry Services : | 80466-34-8 |
| dtp/nci : | 16184 |
references :
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| | (2E,4E)-hexa-2,4-dienal
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| fl. number : | 05.057 |
| jecfa number : | 1175 |
| NIST Chemistry WebBook : | 1539428999 |
| pubchem : | 152053 |
| | hexa-2,4-dienal
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| NIST Chemistry WebBook : | 2534079794 |
| pubchem : | 199561 |
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 |