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| IUPAC name : | ethyl 3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 |
| InChIKey : | GOMAKLPNAAZVCJ-UHFFFAOYAL |
| SMILES : | CCOC(=O)C1C(O1)C2=CC=CC=C2 |
| (EINECS) number : | 204-467-3 |
| cas number : | 121-39-1 |
| beilstein number : | 0163394 |
| fema number : | 2454 |
| coe number : | 11844 |
| jecfa number : | 1576 |
| fl. number : | 16.018 |
| molar refractivity : | 50.85 ± 0.3 cm3 |
| parachor : | 416.2 ± 6.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 42.9 ± 3.0 dyne/cm |
| density : | 1.182 ± 0.06 g/cm3 |
| polarizability : | 20.16 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
| BioActivity Analysis : | 74513 |
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| IUPAC name : | ethyl (2R,3R)-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m1/s1 |
| InChIKey : | GOMAKLPNAAZVCJ-NXEZZACHBL |
| SMILES : | CCOC(=O)[C@H]1[C@H](O1)C2=CC=CC=C2 |
| cas number : | 121-39-1 |
| molar refractivity : | 50.85 ± 0.3 cm3 |
| parachor : | 416.2 ± 6.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 42.9 ± 3.0 dyne/cm |
| density : | 1.182 ± 0.06 g/cm3 |
| polarizability : | 20.16 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| IUPAC name : | ethyl (2R,3S)-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m0/s1 |
| InChIKey : | GOMAKLPNAAZVCJ-VHSXEESVBE |
| SMILES : | CCOC(=O)[C@H]1[C@@H](O1)C2=CC=CC=C2 |
| cas number : | 121-39-1 |
| molar refractivity : | 50.85 ± 0.3 cm3 |
| parachor : | 416.2 ± 6.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 42.9 ± 3.0 dyne/cm |
| density : | 1.182 ± 0.06 g/cm3 |
| polarizability : | 20.16 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| IUPAC name : | ethyl (2S,3R)-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m1/s1 |
| InChIKey : | GOMAKLPNAAZVCJ-ZJUUUORDBK |
| SMILES : | CCOC(=O)[C@@H]1[C@H](O1)C2=CC=CC=C2 |
| cas number : | 2272-55-1 |
| molar refractivity : | 50.85 ± 0.3 cm3 |
| parachor : | 416.2 ± 6.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 42.9 ± 3.0 dyne/cm |
| density : | 1.182 ± 0.06 g/cm3 |
| polarizability : | 20.16 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| IUPAC name : | ethyl (2S,3S)-3-phenyloxirane-2-carboxylate |
| InChI : | InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m0/s1 |
| InChIKey : | GOMAKLPNAAZVCJ-UWVGGRQHBT |
| SMILES : | CCOC(=O)[C@@H]1[C@@H](O1)C2=CC=CC=C2 |
| cas number : | 121-39-1 |
| molar refractivity : | 50.85 ± 0.3 cm3 |
| parachor : | 416.2 ± 6.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 42.9 ± 3.0 dyne/cm |
| density : | 1.182 ± 0.06 g/cm3 |
| polarizability : | 20.16 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| fda reg : | 172.515 |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet strawberry fresh berry honey floral rose |
| taste description³ : | at 30.00 ppm.
Sweet, fruity and berry with a dried fruit and floral nuance |
| substantivity : | 312 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.11900 - 1.12700 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.311 to 9.378
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| specific gravity : | 1.12000 - 1.12800 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.330 to 9.397
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| refractive index : | 1.51500 - 1.52000 @ 20.00 °C.
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| boiling point : | 96.00 °C. @ 0.50 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.89 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 2300.00 mg/kg FCTXAV 13,101,1975
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for strawberry glycidate 2 usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for strawberry glycidate 2 usage levels up to : |
| | 70.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-467-3 |
| rtecs : | MB4970000 for 121-39-1 |
| chemidplus : | 000121391 |
| epa-srs : | 121-39-1 |
| dtp/nci : | 8899 |
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| chemidplus : | 121-39-1 |
| epa-srs : | 121-39-1 |
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| chemidplus : | 121-39-1 |
| epa-srs : | 121-39-1 |
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| chemidplus : | 2272-55-1 |
| epa-srs : | 2272-55-1 |
| dtp/nci : | 82271 |
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| chemidplus : | 121-39-1 |
| epa-srs : | 121-39-1 |
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| other : | |
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| references : | |
| pubchem : | 151627 |
| NIST Chemistry WebBook : | 1397561291 |
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| pubchem : | 35396986 |
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| pubchem : | 35396989 |
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| pubchem : | 120976 |
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| pubchem : | 35396991 |
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| reference : | Mosciano, Gerard P&F 19, No. 3, 51, (1994)³ |