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| IUPAC name : | 2-(2-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane |
| InChI : | InChI=1/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3 |
| InChIKey : | QSWPBUXWYKVPMT-UHFFFAOYAH |
| SMILES : | CC1=CC2CC(C1CC2C(C)C)C3OCCO3 |
| cas number : | 68901-32-6 |
| (EINECS) number : | 272-669-9 |
| molar refractivity : | 68.20 ± 0.3 cm3 |
| parachor : | 554.6 ± 6.0 cm3 |
| index of refraction : | 1.502 ± 0.02 |
| surface tension : | 33.3 ± 3.0 dyne/cm |
| density : | 1.024 ± 0.06 g/cm3 |
| polarizability : | 27.03 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 236.3498600 (IUPAC) |
| formula : | C15 H24 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | 2-(7-isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane |
| SMILES : | O1C(OCC1)[C@@H]1[C@@H]2C(=C[C@@H]([C@@H](C(C)C)C2)C1)C |
| cas number : | 94087-23-7 |
| (EINECS) number : | 301-916-6 |
| molar refractivity : | 68.20 ± 0.3 cm3 |
| parachor : | 554.6 ± 6.0 cm3 |
| index of refraction : | 1.502 ± 0.02 |
| surface tension : | 33.3 ± 3.0 dyne/cm |
| density : | 1.024 ± 0.06 g/cm3 |
| polarizability : | 27.03 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 236.3498600 (IUPAC) |
| formula : | C15 H24 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Glycolierral
Odor: Soft Floral, Green, Milky, Ivy leaves, Woody |
| Penta : | glycolierral
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| Vigon : | Glycolierral
Odor: GREEN, FRUITY |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description :¹ at 100.00 %. | floral green milky privet cortex woody |
| odor sample from : | Roure Bertrand Dupont Inc. |
| substantivity : | 32 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| flash point : | 284.00 °F. TCC ( 140.00 °C. )
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| logP (o/w) : | 3.83 |
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 8000.00 mg/kg
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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 ivy dioxolane usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for ivy dioxolane 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-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane
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| (EINECS) number : | 272-669-9 |
| chemidplus : | 068901326 |
| EPA Substance Registry Services : | 68901-32-6 |
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| | 2-(7-isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
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| (EINECS) number : | 301-916-6 |
| chemidplus : | 094087237 |
| EPA Substance Registry Services : | 94087-23-7 |
references :
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| | 2-(2-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane
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| pubchem : | 688697 |
| | 2-(7-isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
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| pubchem : | 3796315 |
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 |