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| IUPAC name : | 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone |
| InChI : | InChI=1/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey : | IKTHMQYJOWTSJO-UHFFFAOYAI |
| SMILES : | CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C |
| cas number : | 13171-00-1 |
| (EINECS) number : | 236-114-4 |
| fema number : | 3653 |
| jecfa number : | 812 |
| fl. number : | 07.133 |
| molar refractivity : | 76.16 ± 0.3 cm3 |
| parachor : | 609.7 ± 4.0 cm3 |
| index of refraction : | 1.508 ± 0.02 |
| surface tension : | 32.6 ± 3.0 dyne/cm |
| density : | 0.957 ± 0.06 g/cm3 |
| polarizability : | 30.19 ± 0.5 10-24cm3 |
| XlogP : | 5.50 |
| molecular weight : | 244.3718600 (IUPAC) |
| formula : | C17 H24 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.39.9000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Celestolide
Odor: This musk has warmth, brilliance, richness and strength. Good stability. Musk, powdery, fruity note. |
| John D. Walsh : | Celestolide
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| Moellhausen : | crysolide
98% min. artifical kosher |
| Penta : | crysolide
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| Tokyo Chemical Industry : | 4-Acetyl-6-tert-butyl-1,1-dimethylindan
>98.0%(GC) |
| Vigon : | Crysolide
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organoleptics :
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| odor type : | musk |
| odor strength : | medium |
odor description :¹ at 100.00 %. | animal musk cedar ambergris woody |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | white crystals |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 68.00 to 71.00 °C. @ 760.00 mm Hg
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| boiling point : | 308.00 to 309.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.02000 mm/Hg @ 25.00 °C. |
| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 6.60 |
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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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 4.90 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 1.00 (μg/capita/day) |
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| recommendation for musk dimethyl indane usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
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| (EINECS) number : | 236-114-4 |
| chemidplus : | 013171001 |
| EPA Substance Registry Services : | 13171-00-1 |
references :
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| | 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
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| fl. number : | 07.133 |
| jecfa number : | 812 |
| NIST Chemistry WebBook : | 663048432 |
| pubchem : | 197969 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1984)¹ |
| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |