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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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| 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 |
| (EINECS) number : | 205-564-3 |
| cas number : | 142-83-6 |
| 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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| fda reg : | unspecified |
h. number : | 2916.19.4000 |
| organoleptics : | |
| 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 |
| taste description³ : | at 25.00 ppm.
Sweet, green, waxy, aldehydic with fresh melon nuances |
| properties : | |
| appearence : | yellow clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88800 - 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 - 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 - 174.00 °C. @ 754.00 mm Hg
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| logp : | 1.37 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 300.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 270.00 ul/kg
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| flash point ( Deg. F. ) : | 154.00 °F. TCC ( 67.78 °C. )
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| recommendation for (E,E)-2,4-hexadien-1-al usage levels up to : | | | 1.0000 % in the fragrance concentrate.
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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 links : | |
| chemidplus : | 080466348 |
| epa-srs : | 80466-34-8 |
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| (EINECS) number : | 205-564-3 |
| rtecs : | WG1925000 for 142-83-6 |
| chemidplus : | 000142836 |
| epa-srs : | 142-83-6 |
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| other : | |
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| references : | |
| pubchem : | 199561 |
| NIST Chemistry WebBook : | 2534079794 |
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| pubchem : | 152053 |
| NIST Chemistry WebBook : | 1539428999 |
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| reference : | Mosciano, Gerard P&F 18, No. 3, 53, (1993)³ |
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| synonyms : |
| (E,E)-2,4- | hexadien-1-al | | (E)-2,(E)-4- | hexadien-1-al | | trans-2,trans-4- | hexadien-1-al | | trans,trans-2,4- | hexadien-1-al | | (E,E)-2,4- | hexadienal | | 2,4- | hexadienal (89% trans,trans;11% cis,trans) | | 1,3- | pentadiene-1-carboxaldehyde | | 2- | propylene acrolein | | 3- | propylene acrolein | | | sorbaldehyde | | | sorbic aldehyde |
| soluble in : |
| | alcohol | | | water, 8140 mg/L @ 25C |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | methyl dihydrojasmonate |
| (odor and/or flavor) used in : |
| | apple | | | cherry | | | citrus | | | fat | | | floral | | | fresh | | | fruit tropical fruit | | | green | | | kiwi | | | mango | | | melon watermelon muskmelon cantaloupe | | | orange | | | pear | | | pineapple | | | spice |
| natural occurrence in : |
| beer |
| caviar |
| clam |
| fish |
| data page | guava fruit headspace reunion @ 2.20% |
| kiwi fruit |
| mango |
| olive |
| peanut roasted peanut |
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