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| IUPAC name : | 2-pentylcyclopentan-1-one |
| InChI : | InChI=1/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3 |
| InChIKey : | VNWOJVJCRAHBJJ-UHFFFAOYAJ |
| SMILES : | CCCCCC1CCCC1=O |
| cas number : | 4819-67-4 |
| (EINECS) number : | 225-392-2 |
| molar refractivity : | 46.41 ± 0.3 cm3 |
| parachor : | 404.1 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 30.2 ± 3.0 dyne/cm |
| density : | 0.895 ± 0.06 g/cm3 |
| polarizability : | 18.40 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Firmenich : | DELPHONE
≥97% Odor: Powerful diffusive and complex note, floral, aromatic and fruity. Predominantly jasmin and celery but possesses a pear-like character with a warm hay lactonic undertone. |
| Vigon : | Delphone
Odor: FLORAL, FRUITY |
| Vigon : | QUINTONE
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organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | coconut jasmin oily rose fern green herbal |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 16 Hour(s) |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88700 to 0.89300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.389 to 7.439
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| refractive index : | 1.44600 to 1.45000 @ 20.00 °C.
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| boiling point : | 216.00 to 217.00 °C. @ 760.00 mm Hg
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| acid value : | 3.00 max. KOH/g
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| flash point : | 208.00 °F. TCC ( 97.78 °C. )
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| logP (o/w) : | 2.82 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for 2-pentyl cyclopentanone usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for 2-pentyl cyclopentanone usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-pentylcyclopentan-1-one
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| (EINECS) number : | 225-392-2 |
| chemidplus : | 004819674 |
| EPA Substance Registry Services : | 4819-67-4 |
references :
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| | 2-pentylcyclopentan-1-one
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| pubchem : | 163742 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |