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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one |
| InChI : | InChI=1/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3 |
| InChIKey : | MIZGSAALSYARKU-UHFFFAOYAK |
| SMILES : | CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C |
| cas number : | 33704-61-9 |
| (EINECS) number : | 251-649-3 |
| molar refractivity : | 62.34 ± 0.4 cm3 |
| parachor : | 507.5 ± 6.0 cm3 |
| index of refraction : | 1.495 ± 0.03 |
| surface tension : | 31.8 ± 5.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 24.71 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.29.5000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Cashmeran®
≥95% (sum of isomers) Odor: Diffusive, spicy, musky-like, odor with strong floral reinforcement. Powdery, velvet nuance. |
| John D. Walsh : | Cashmeran
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| Moellhausen : | cashmeran
97% min. nature identical kosher Odor: diffusive, spicy, musk with strong floral note (sweet aromatic) |
| Penta : | cashmeran
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organoleptics :
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| odor type : | musk |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | rich spicy musk woody clean |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 48 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow semi-solid to solid |
| assay : | 90.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95400 to 0.96200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.938 to 8.005
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| specific gravity : | 0.95500 to 0.96300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.956 to 8.022
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| refractive index : | 1.49700 to 1.50200 @ 20.00 °C.
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| boiling point : | 285.00 to 286.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 5.20000 mm/Hg @ 25.00 °C. |
| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 4.50 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| storage : | refrigerate in tightly sealed containers. |
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 2901.00 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 musk indanone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for musk indanone usage levels up to : |
| | not for flavor use.
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safety references :
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| msds : | msds |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
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| (EINECS) number : | 251-649-3 |
| chemidplus : | 033704619 |
| EPA Substance Registry Services : | 33704-61-9 |
references :
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| | 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
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| NIST Chemistry WebBook : | 33704619 |
| pubchem : | 669158 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1996)¹ |
| CosIng : | cosmetic data |
| | C of A |