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| IUPAC name : | 1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one |
| InChI : | InChI=1/C13H20O/c1-4-5-8-12(14)11-7-6-9-13(2,3)10-11/h4,7H,1,5-6,8-10H2,2-3H3 |
| InChIKey : | OEVIJAZJVZDBQL-UHFFFAOYAG |
| SMILES : | CC1(CCC=C(C1)C(=O)CCC=C)C |
| cas number : | 56973-85-4 |
| (EINECS) number : | 260-486-7 |
| molar refractivity : | 59.42 ± 0.3 cm3 |
| parachor : | 495.6 ± 6.0 cm3 |
| index of refraction : | 1.472 ± 0.02 |
| surface tension : | 29.8 ± 3.0 dyne/cm |
| density : | 0.906 ± 0.06 g/cm3 |
| polarizability : | 23.55 ± 0.5 10-24cm3 |
| XlogP : | 3.80 |
| molecular weight : | 192.2973000 (IUPAC) |
| formula : | C13 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.29.0000 |
| fda reg : | unspecified |
Suppliers :
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| Firmenich : | DYNASCONE®
≥90% Odor: Green, fruity, floral. An extremely powerful and diffusive material that has an odour reminiscent of galbanum, with a pineapple and hyacinth character. |
| Firmenich : | NEOBUTENONE® ALPHA
≥98% Odor: Intense green galbanum odor with an earthy, ozonic, pineapple note. |
| IFF : | Galbascone High Alpha
82% Alpha Isomer |
| IFF : | Galbascone
≥95% (sum of isomers) Odor: Intense green galbanum odor with an earthy, ozonic, pineapple note. |
| Penta : | 1-(5,5-dimethyl-1-cyclohexen-1-yl)-4-penten-1-one
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| Vigon : | Dynascone
Odor: GREEN, HERBACEOUS |
| Vigon : | Dynascone
10% DIPG Odor: SHARP, GREEN, HERBACEOUS |
| Vigon : | Neobutenone Alpha
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| Vigon : | Neobutenone Alpha
10% DIPG |
organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | green galbanum floral pineapple fruity hyacinth |
| substantivity : | > 48 hour(s) at 100.00 % |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92100 to 0.93100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.673 to 7.756
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| refractive index : | 1.48700 to 1.49200 @ 20.00 °C.
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| boiling point : | 268.00 to 269.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| flash point : | 235.00 °F. TCC ( 112.78 °C. )
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| logP (o/w) : | 4.45 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 43 - May cause sensitisation by skin contact. 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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| Human experience : | no skin, eye, irritation or sensitization at 10%. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 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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| IFRA critical Effect : | Sensitization |
| recommendation for galbanum ketone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for galbanum ketone 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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| | 1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one
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| (EINECS) number : | 260-486-7 |
| chemidplus : | 056973854 |
| EPA Substance Registry Services : | 56973-85-4 |
references :
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| | 1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one
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| pubchem : | 669501 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |