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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane |
| InChI : | InChI=1/C14H20O2/c1-11-10-14(2,3)16-13(15-11)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3 |
| InChIKey : | KSEFBQCEGMTNPD-UHFFFAOYAJ |
| SMILES : | CC1CC(OC(O1)CC2=CC=CC=C2)(C)C |
| cas number : | 67633-94-7 |
| (EINECS) number : | 266-795-3 |
| beilstein number : | 0134216 |
| molar refractivity : | 64.85 ± 0.3 cm3 |
| parachor : | 542.8 ± 4.0 cm3 |
| index of refraction : | 1.487 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 0.978 ± 0.06 g/cm3 |
| polarizability : | 25.70 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| molecular weight : | 220.3074000 |
| formula : | C14 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.99.0000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Reseda Body
Odor: Delicate but powerful hyacinth, narcissus, reseda note with some sweet pea, string bean and green aspects. |
| Inoue : | PHENYL ACETALDEHYDE HG ACETAL
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| John D. Walsh : | Reseda Body
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| Penta : | reseda body
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organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | hyacinth narcissus reseda sweet pea green bean |
| substantivity : | 36 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99200 to 1.00000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.254 to 8.321
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| specific gravity : | 0.99300 to 1.00100 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.272 to 8.339
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| refractive index : | 1.49500 to 1.50000 @ 20.00 °C.
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| boiling point : | 292.00 to 293.00 °C. @ 760.00 mm Hg
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| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 3.39 |
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 5000.00 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 103S, 1992.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 103S, 1992.
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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 reseda acetal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for reseda acetal 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-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
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| (EINECS) number : | 266-795-3 |
| chemidplus : | 067633947 |
| EPA Substance Registry Services : | 67633-94-7 |
| dtp/nci : | 26387 |
references :
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| | 2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
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| pubchem : | 672410 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |