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| IUPAC name : | 2-(phenylmethyl)-1,3-dioxan-5-ol |
| InChI : | InChI=1/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 |
| InChIKey : | SCBQUBIXYNMXER-UHFFFAOYAX |
| SMILES : | C1C(COC(O1)CC2=CC=CC=C2)O |
| cas number : | 29895-73-6 |
| (EINECS) number : | 249-934-2 |
| fema number : | 2877 |
| coe number : | 41 |
| jecfa number : | 1004 |
| fl. number : | 06.007 |
| molar refractivity : | 52.41 ± 0.3 cm3 |
| parachor : | 427.1 ± 4.0 cm3 |
| index of refraction : | 1.552 ± 0.02 |
| surface tension : | 46.2 ± 3.0 dyne/cm |
| density : | 1.185 ± 0.06 g/cm3 |
| polarizability : | 20.77 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| molecular weight : | 194.2270600 (IUPAC) |
| formula : | C11 H14 O3 |
| NMR Predictor : | Predict |
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| IUPAC name : | [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanol |
| InChI : | InChI=1/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 |
| InChIKey : | ZPENOSKWEKGDCX-UHFFFAOYAC |
| SMILES : | C1C(OC(O1)CC2=CC=CC=C2)CO |
| cas number : | 5694-72-4 |
| (EINECS) number : | 227-164-8 |
| fema number : | 2877 |
| molar refractivity : | 52.44 ± 0.3 cm3 |
| parachor : | 441.4 ± 4.0 cm3 |
| index of refraction : | 1.537 ± 0.02 |
| surface tension : | 48.0 ± 3.0 dyne/cm |
| density : | 1.158 ± 0.06 g/cm3 |
| polarizability : | 20.78 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| molecular weight : | 194.2270600 (IUPAC) |
| formula : | C11 H14 O3 |
| NMR Predictor : | Predict |
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| IUPAC name : | 2-(cyclohexylmethyl)-1,3-dioxan-5-ol |
| InChI : | InChI=1/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 |
| InChIKey : | SCBQUBIXYNMXER-UHFFFAOYAX |
| SMILES : | C1C(COC(O1)CC2=CC=CC=C2)O |
| cas number : | 4740-79-8 |
| (EINECS) number : | 225-249-4 |
| fema number : | 2877 |
| molar refractivity : | 52.41 ± 0.3 cm3 |
| parachor : | 427.1 ± 4.0 cm3 |
| index of refraction : | 1.552 ± 0.02 |
| surface tension : | 46.2 ± 3.0 dyne/cm |
| density : | 1.185 ± 0.06 g/cm3 |
| polarizability : | 20.77 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| molecular weight : | 194.2270600 (IUPAC) |
| formula : | C11 H14 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Acetal CD
Odor: Floral, Green, Honey, Rosy |
| Inoue : | PHENYL ACETALDEHYDE GLYCERYL ACETAL
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| Moellhausen : | CD acetal
95% min. artifical kosher Odor: green floral (hyacinth, rose, cyclamen), with a honey and mushroom connotation Flavor: aromatic, herbaceous, floral |
| Penta : | acetal CD
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| Vigon : | Acetal CD Phenyl Acetaldehyde Glyceryl Acetal
Odor: GREEN, FLORAL, HONEY-LIKE |
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. | floral honey cyclamen rose leaf |
properties :
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| appearence : | colorless clear slightly viscous liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15800 to 1.16800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.636 to 9.719
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| specific gravity : | 1.15400 to 1.16200 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.614 to 9.680
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| refractive index : | 1.52400 to 1.53600 @ 20.00 °C.
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| boiling point : | 358.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00130 mm/Hg @ 20.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 0.95 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 : | 3 % solution: no irritation or sensitization. |
| 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) : | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 1.00 (μg/capita/day) |
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| recommendation for hyacinth acetal usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for hyacinth acetal usage levels up to : |
| | 25.0000 ppm in the flavor.
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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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-(phenylmethyl)-1,3-dioxan-5-ol
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| (EINECS) number : | 249-934-2 |
| chemidplus : | 004740798 |
| EPA Substance Registry Services : | 29895-73-6 |
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| | [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanol
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| (EINECS) number : | 227-164-8 |
| chemidplus : | 005694724 |
| EPA Substance Registry Services : | 5694-72-4 |
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| | 2-(cyclohexylmethyl)-1,3-dioxan-5-ol
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| (EINECS) number : | 225-249-4 |
| chemidplus : | 004740798 |
| EPA Substance Registry Services : | 4740-79-8 |
references :
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| | 2-(phenylmethyl)-1,3-dioxan-5-ol
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| fl. number : | 06.007 |
| jecfa number : | 1004 |
| pubchem : | 655506 |
| | [2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanol
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| pubchem : | 164605 |
| | 2-(cyclohexylmethyl)-1,3-dioxan-5-ol
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| pubchem : | 655506 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |