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| IUPAC name : | decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene) |
| InChI : | InChI=1/C13H20O/c1-3-10-9-7-12(11(10)4-1)13(8-9)5-2-6-14-13/h9-12H,1-8H2 |
| InChIKey : | JDJZAKLOMAHING-UHFFFAOYAI |
| SMILES : | C1CC2C(C1)C3CC2CC34CCCO4 |
| cas number : | 68480-11-5 |
| (EINECS) number : | 270-887-9 |
| molar refractivity : | 55.72 ± 0.4 cm3 |
| parachor : | 441.2 ± 6.0 cm3 |
| index of refraction : | 1.541 ± 0.03 |
| surface tension : | 38.3 ± 5.0 dyne/cm |
| density : | 1.08 ± 0.1 g/cm3 |
| polarizability : | 22.09 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Vigoflor
≥95% (sum of isomers) Odor: Dry grapefruit note with vetivert characteristics. |
organoleptics :
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| odor type : | citrus |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh citrus grapefruit skin rhubarb vetiver floral gardenia |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 12 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02900 to 1.03700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.562 to 8.629
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| refractive index : | 1.50300 to 1.50800 @ 20.00 °C.
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| boiling point : | 267.00 to 268.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.01300 mm/Hg @ 25.00 °C. |
| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 4.27 |
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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| Human experience : | no sensitization at 2.5% |
| 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 grapefruit indene usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for grapefruit indene 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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| | decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
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| (EINECS) number : | 270-887-9 |
| chemidplus : | 068480115 |
| EPA Substance Registry Services : | 68480-11-5 |
references :
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| | decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene)
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| pubchem : | 686757 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (2006)¹ |
| CosIng : | cosmetic data |