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| IUPAC name : | 2-(1-phenylethyl)-1,3-dioxolane |
| InChI : | InChI=1/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 |
| InChIKey : | SATZAQAJSHXNSJ-UHFFFAOYAS |
| SMILES : | CC(C1OCCO1)C2=CC=CC=C2 |
| cas number : | 4362-22-5 |
| (EINECS) number : | 224-449-9 |
| molar refractivity : | 50.84 ± 0.3 cm3 |
| parachor : | 418.8 ± 4.0 cm3 |
| index of refraction : | 1.523 ± 0.02 |
| surface tension : | 40.1 ± 3.0 dyne/cm |
| density : | 1.071 ± 0.06 g/cm3 |
| polarizability : | 20.15 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| XlogP3-AA : | 2.20 |
| molecular weight : | 178.2276600 (IUPAC) |
| formula : | C11 H14 O2 |
| BioActivity Analysis : | 95043 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | HYDRATROP ALDEHYDE EG ACETAL
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | floral green mushroom earth |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.06400 to 1.07200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.854 to 8.920
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| specific gravity : | 1.06500 to 1.07300 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.872 to 8.939
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| refractive index : | 1.51500 to 1.51900 @ 20.00 °C.
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| boiling point : | 249.00 to 250.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 1.81 |
safety :
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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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| Category : | fragrance agents |
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| recommendation for 2-phenyl propionaldehyde ethylene glycol acetal fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for 2-phenyl propionaldehyde ethylene glycol acetal flavor 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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| | 2-(1-phenylethyl)-1,3-dioxolane |
| (EINECS) number : | 224-449-9 |
| chemidplus : | 004362225 |
| EPA Substance Registry Services : | 4362-22-5 |
| dtp/nci : | 39437 |
references :
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| | 2-(1-phenylethyl)-1,3-dioxolane |
| NIST Chemistry WebBook : | 873137767 |
| pubchem : | 675017 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |