| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | ethyl 3-(4-methylphenyl)oxirane-2-carboxylate |
| InChI : | InChI=1/C12H14O3/c1-3-14-12(13)11-10(15-11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3 |
| InChIKey : | UMSHXRVBYUKRDF-UHFFFAOYAP |
| SMILES : | CCOC(=O)C1C(O1)C2=CC=C(C=C2)C |
| cas number : | 52788-71-3 |
| (EINECS) number : | 258-180-3 |
| molar refractivity : | 55.68 ± 0.3 cm3 |
| parachor : | 454.5 ± 6.0 cm3 |
| index of refraction : | 1.534 ± 0.02 |
| surface tension : | 41.6 ± 3.0 dyne/cm |
| density : | 1.153 ± 0.06 g/cm3 |
| polarizability : | 22.07 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 206.2377600 (IUPAC) |
| formula : | C12 H14 O3 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
|
| Berje : | Aldehyde C-20
|
| Penta : | aldehyde C-20
fragrance grade |
| Penta : | aldehyde C-20
food grade, Kosher |
organoleptics :
|
| odor strength : | medium |
odor description: at 100.00 %. | sweet raspberry floral rose |
| substantivity : | 312 Hour(s) |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| boiling point : | 290.00 to 292.00 °C. @ 760.00 mm Hg
|
| flash point : | 243.00 °F. TCC ( 117.22 °C. )
|
| logP (o/w) : | 2.35 |
safety :
|
| Oral Toxicity(LD50) : |
| |
Not determined
|
| Dermal Toxicity(LD50) : |
| |
Not determined
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| |
| recommendation for ethyl para-methyl-beta-phenyl glycidate fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
safety references :
|
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| |
| |
| | ethyl 3-(4-methylphenyl)oxirane-2-carboxylate |
| (EINECS) number : | 258-180-3 |
| chemidplus : | 052788713 |
| EPA Substance Registry Services : | 52788-71-3 |
references :
|
| | ethyl 3-(4-methylphenyl)oxirane-2-carboxylate |
| pubchem : | 681136 |
other :
|