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| IUPAC name : | hept-4-enal |
| InChI : | InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3 |
| InChIKey : | VVGOCOMZRGWHPI-UHFFFAOYAP |
| SMILES : | CCC=CCCC=O |
| cas number : | 62238-34-0 |
| fema number : | 3289 |
| molar refractivity : | 34.72 ± 0.3 cm3 |
| parachor : | 306.7 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.830 ± 0.06 g/cm3 |
| polarizability : | 13.76 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 112.1695800 |
| formula : | C7 H12 O |
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| IUPAC name : | (Z)-hept-4-enal |
| InChI : | InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- |
| InChIKey : | VVGOCOMZRGWHPI-ARJAWSKDBH |
| SMILES : | CC\C=C/CCC=O |
| (EINECS) number : | 229-779-7 |
| cas number : | 6728-31-0 |
| fema number : | 3289 |
| coe number : | 2124 |
| jecfa number : | 320 |
| fl. number : | 05.085 |
| molar refractivity : | 34.72 ± 0.3 cm3 |
| parachor : | 306.7 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.830 ± 0.06 g/cm3 |
| polarizability : | 13.76 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 112.1695800 |
| formula : | C7 H12 O |
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| fda reg : | 172.515 |
h. number : | 2912.10 |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | fatty green vegetable fryed butter creamy |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 99.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.84300 - 0.85200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.015 to 7.089
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| refractive index : | 1.43200 - 1.43600 @ 20.00 °C.
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| boiling point : | 60.00 °C. @ 25.00 mm Hg
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| logp : | 2.17 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 1.60 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 103.00 °F. TCC ( 39.44 °C. )
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| recommendation for (Z)-4-hepten-1-al usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| recommendation for (Z)-4-hepten-1-al usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 062238340 |
| epa-srs : | 62238-34-0 |
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| (EINECS) number : | 229-779-7 |
| chemidplus : | 6728-31-0 |
| epa-srs : | 6728-31-0 |
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| other : | |
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| references : | |
| pubchem : | 671717 |
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| pubchem : | 10532374 |
| NIST Chemistry WebBook : | 3263206617 |
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