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| IUPAC name : | ethyl 3-methyl-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3 |
| InChIKey : | LQKRYVGRPXFFAV-UHFFFAOYAI |
| SMILES : | CCOC(=O)C1C(O1)(C)C2=CC=CC=C2 |
| (EINECS) number : | 201-061-8 |
| cas number : | 77-83-8 |
| beilstein number : | 0012299 |
| fema number : | 2444 |
| coe number : | 6002 |
| jecfa number : | 1577 |
| fl. number : | 16.015 |
| molar refractivity : | 55.46 ± 0.3 cm3 |
| parachor : | 454.6 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 39.7 ± 3.0 dyne/cm |
| density : | 1.139 ± 0.06 g/cm3 |
| polarizability : | 21.98 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 206.2377600 |
| formula : | C12 H14 O3 |
| BioActivity Analysis : | 88138 |
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| IUPAC name : | ethyl (2R,3R)-3-methyl-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12+/m0/s1 |
| InChIKey : | LQKRYVGRPXFFAV-CMPLNLGQBP |
| SMILES : | CCOC(=O)[C@H]1[C@@](O1)(C)C2=CC=CC=C2 |
| cas number : | 77-83-8 |
| molar refractivity : | 55.46 ± 0.3 cm3 |
| parachor : | 454.6 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 39.7 ± 3.0 dyne/cm |
| density : | 1.139 ± 0.06 g/cm3 |
| polarizability : | 21.98 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 206.2377600 |
| formula : | C12 H14 O3 |
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| IUPAC name : | ethyl (2R,3S)-3-methyl-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12-/m0/s1 |
| InChIKey : | LQKRYVGRPXFFAV-JQWIXIFHBZ |
| SMILES : | CCOC(=O)[C@H]1[C@](O1)(C)C2=CC=CC=C2 |
| cas number : | 19464-95-0 |
| molar refractivity : | 55.46 ± 0.3 cm3 |
| parachor : | 454.6 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 39.7 ± 3.0 dyne/cm |
| density : | 1.139 ± 0.06 g/cm3 |
| polarizability : | 21.98 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 206.2377600 |
| formula : | C12 H14 O3 |
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| IUPAC name : | ethyl (2S,3R)-3-methyl-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12-/m1/s1 |
| InChIKey : | LQKRYVGRPXFFAV-ZYHUDNBSBU |
| SMILES : | CCOC(=O)[C@@H]1[C@@](O1)(C)C2=CC=CC=C2 |
| cas number : | 77-83-8 |
| molar refractivity : | 55.46 ± 0.3 cm3 |
| parachor : | 454.6 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 39.7 ± 3.0 dyne/cm |
| density : | 1.139 ± 0.06 g/cm3 |
| polarizability : | 21.98 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 206.2377600 |
| formula : | C12 H14 O3 |
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| IUPAC name : | ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12+/m1/s1 |
| InChIKey : | LQKRYVGRPXFFAV-PWSUYJOCBF |
| SMILES : | CCOC(=O)[C@@H]1[C@](O1)(C)C2=CC=CC=C2 |
| cas number : | 77-83-8 |
| molar refractivity : | 55.46 ± 0.3 cm3 |
| parachor : | 454.6 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 39.7 ± 3.0 dyne/cm |
| density : | 1.139 ± 0.06 g/cm3 |
| polarizability : | 21.98 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 206.2377600 |
| formula : | C12 H14 O3 |
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| fda reg : | 182.60 |
h. number : | 2918.90.6000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruity strawberry floral honey fatty |
| taste description³ : | at 50.00 ppm.
Sweet, berry, strawberry, fruity, tutti frutti and floral nuances |
| substantivity : | 241 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.08600 - 1.11200 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.037 to 9.253
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| refractive index : | 1.49900 - 1.51200 @ 20.00 °C.
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| boiling point : | 272.00 - 275.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 3.00 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| Storage : | refrigerate in tightly sealed containers. |
| | moisture Sensitive. |
| safety : | |
| most important hazard(s) : |
Xi N - Irritant, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat 5470.00 mg/kg FCTXAV 2,327,1964
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for strawberry glycidate 1 (aldehyde C-16) usage levels up to : |
| | 15.0000 % in the fragrance concentrate.
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| recommendation for strawberry glycidate 1 (aldehyde C-16) usage levels up to : |
| | 470.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 201-061-8 |
| rtecs : | MW5250000 for 77-83-8 |
| chemidplus : | 000077838 |
| epa-srs : | 77-83-8 |
| dtp/nci : | 27905 |
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| chemidplus : | 77-83-8 |
| epa-srs : | 77-83-8 |
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| chemidplus : | 19464-95-0 |
| epa-srs : | 19464-95-0 |
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| chemidplus : | 77-83-8 |
| epa-srs : | 77-83-8 |
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| chemidplus : | 77-83-8 |
| epa-srs : | 77-83-8 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 149464 |
| NIST Chemistry WebBook : | 4000957641 |
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| pubchem : | 43595843 |
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| pubchem : | 43595841 |
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| pubchem : | 43595844 |
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| pubchem : | 43595842 |
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| reference : | Mosciano, Gerard P&F 17, No. 1, 41, (1992)³ |