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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-[2-(4-methyl-1-cyclohex-3-enyl)propyl]cyclopentan-1-one |
| InChI : | InChI=1/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3 |
| InChIKey : | KNHGOYVXAHUDHP-UHFFFAOYAV |
| SMILES : | CC1=CCC(CC1)C(C)CC2CCCC2=O |
| cas number : | 95962-14-4 |
| molar refractivity : | 67.04 ± 0.3 cm3 |
| parachor : | 554.7 ± 6.0 cm3 |
| index of refraction : | 1.492 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 26.57 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| molecular weight : | 220.3504600 (IUPAC) |
| formula : | C15 H24 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Nectaryl
Odor: Peach, Fruity, Apricot, Lactonic |
| Penta : | nectaryl
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| Vigon : | Nectaryl
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | ketone fruity peach apricot |
| substantivity : | 380 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 287.00 to 288.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 20.00000 mm/Hg |
| flash point : | 324.00 °F. TCC ( 162.22 °C. )
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| logP (o/w) : | 4.26 |
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 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >2000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >2000.00 mg/kg
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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 peach cyclopentanone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for peach 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-[2-(4-methyl-1-cyclohex-3-enyl)propyl]cyclopentan-1-one
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| chemidplus : | 095962144 |
| EPA Substance Registry Services : | 95962-14-4 |
references :
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| | 2-[2-(4-methyl-1-cyclohex-3-enyl)propyl]cyclopentan-1-one
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| pubchem : | 752863 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |