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| IUPAC name : | 2-heptylcyclopentan-1-one |
| InChI : | InChI=1/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3 |
| InChIKey : | PJXHBTZLHITWFX-UHFFFAOYAX |
| SMILES : | CCCCCCCC1CCCC1=O |
| (EINECS) number : | 205-273-1 |
| cas number : | 137-03-1 |
| beilstein number : | 2043445 |
| molar refractivity : | 55.68 ± 0.3 cm3 |
| parachor : | 484.2 ± 6.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 22.07 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 182.3024800 |
| formula : | C12 H22 O |
| BioActivity Analysis : | 118781 |
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| export tariff code : | 2914.29.0000 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Fleuramone |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | fruity peach jasmin z-jasmone oily fresh galbanum |
| substantivity : | 80 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87900 - 0.88700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.314 to 7.381
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| specific gravity : | 0.88000 - 0.88800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.331 to 7.398
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| refractive index : | 1.45000 - 1.45400 @ 20.00 °C.
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| logp : | 3.88 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 5000.00 mg/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for 2-heptyl cyclopentanone usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for 2-heptyl cyclopentanone usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 205-273-1 |
| chemidplus : | 000137031 |
| epa-srs : | 137-03-1 |
| dtp/nci : | 78468 |
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other :
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references :
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| pubchem : | 151866 |
| NIST Chemistry WebBook : | 1813117257 |
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