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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | heptanal |
| InChI : | InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| InChIKey : | FXHGMKSSBGDXIY-UHFFFAOYAJ |
| SMILES : | CCCCCCC=O |
| (EINECS) number : | 203-898-4 |
| cas number : | 111-71-7 |
| beilstein number : | 1560236 |
| fema number : | 2540 |
| coe number : | 117 |
| jecfa number : | 95 |
| fl. number : | 05.031 |
| molar refractivity : | 34.66 ± 0.3 cm3 |
| parachor : | 319.5 ± 4.0 cm3 |
| index of refraction : | 1.405 ± 0.02 |
| surface tension : | 26.0 ± 3.0 dyne/cm |
| density : | 0.807 ± 0.06 g/cm3 |
| polarizability : | 13.74 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 114.1854600 |
| formula : | C7 H14 O |
| BioActivity Analysis : | 48421997 |
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| fda reg : | 172.515 |
h. number : | 2912.30.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | fresh green sweet herbal wine-lee ozone |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.81400 - 0.81900 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.773 to 6.815
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| refractive index : | 1.41200 - 1.42000 @ 20.00 °C.
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| melting point : | -43.00 - -42.00 °C. @ 760.00 mm Hg
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| boiling point : | 152.00 - 153.00 °C. @ 760.00 mm Hg
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| boiling point : | 74.00 - 75.00 °C. @ 50.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 2.50 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3200.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 gm/kg
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| flash point ( Deg. F. ) : | 95.00 °F. TCC ( 35.00 °C. )
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| recommendation for heptanal (aldehyde C-7) usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for heptanal (aldehyde C-7) usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-898-4 |
| rtecs : | MI6900000 for 111-71-7 |
| chemidplus : | 000111717 |
| epa-srs : | 111-71-7 |
| dtp/nci : | 2190 |
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| other : | |
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| references : | |
| jecfa number : | 95 |
| fl. number : | 05.031 |
| pubchem : | 151259 |
| NIST Chemistry WebBook : | 3825811892 |
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