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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | heptan-4-one |
| InChI : | InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
| InChIKey : | HCFAJYNVAYBARA-UHFFFAOYAM |
| SMILES : | CCCC(=O)CCC |
| (EINECS) number : | 204-608-9 |
| eu annex : | 606-027-00-X |
| cas number : | 123-19-3 |
| beilstein number : | 1699049 |
| fema number : | 2546 |
| coe number : | 2034 |
| jecfa number : | 287 |
| fl. number : | 07.058 |
| molar refractivity : | 34.50 ± 0.3 cm3 |
| parachor : | 315.7 ± 4.0 cm3 |
| index of refraction : | 1.403 ± 0.02 |
| surface tension : | 24.9 ± 3.0 dyne/cm |
| density : | 0.808 ± 0.06 g/cm3 |
| polarizability : | 13.68 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 114.1854600 |
| formula : | C7 H14 O |
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| fda reg : | 172.515 |
h. number : | 2914.10 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fruity cheese sweet cognac pineapple |
| taste description³ : | at 4.00 ppm. Fruity, diffusive, cheesy and ketonic |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81500 - 0.81800 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.782 to 6.807
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| refractive index : | 1.40500 - 1.40800 @ 20.00 °C.
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| melting point : | -33.00 °C. @ 760.00 mm Hg
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| boiling point : | 144.00 - 145.00 °C. @ 760.00 mm Hg
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| logp : | 1.73 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 3049.00 mg/kg (Carpenter et al., 1974)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 5660.00 ul/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 1.90 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 120.00 °F. TCC ( 48.89 °C. )
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| recommendation for 4-heptanone usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for 4-heptanone usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-608-9 |
| rtecs : | MJ5600000 for 123-19-3 |
| chemidplus : | 000123193 |
| epa-srs : | 123-19-3 |
| dtp/nci : | 8692 |
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| other : | |
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| references : | |
| jecfa number : | 287 |
| fl. number : | 07.058 |
| pubchem : | 173283 |
| NIST Chemistry WebBook : | 3598422614 |
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| reference : | Mosciano, Gerard P&F 23, No. 1, 33, (1998)³ |