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| IUPAC name : | ethyl 2-methylbut-2-enoate |
| InChI : | InChI=1/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3 |
| InChIKey : | OAPHLAAOJMTMLY-UHFFFAOYAR |
| SMILES : | CCOC(=O)C(=CC)C |
| (EINECS) number : | 259-688-8 |
| cas number : | 55514-48-2 |
| fema number : | 2460 |
| coe number : | 2185 |
| fl. number : | 09.495 |
| molar refractivity : | 36.15 ± 0.3 cm3 |
| parachor : | 318.7 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 26.1 ± 3.0 dyne/cm |
| density : | 0.909 ± 0.06 g/cm3 |
| polarizability : | 14.33 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| IUPAC name : | ethyl (E)-2-methylbut-2-enoate |
| InChI : | InChI=1/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey : | OAPHLAAOJMTMLY-GQCTYLIABO |
| SMILES : | CCOC(=O)/C(=C/C)/C |
| (EINECS) number : | 227-425-6 |
| cas number : | 5837-78-5 |
| beilstein number : | 1720895 |
| fema number : | 2460 |
| molar refractivity : | 36.15 ± 0.3 cm3 |
| parachor : | 318.7 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 26.1 ± 3.0 dyne/cm |
| density : | 0.909 ± 0.06 g/cm3 |
| polarizability : | 14.33 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet fruity rose floral caramel |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91700 - 0.92700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.630 to 7.714
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| refractive index : | 1.43000 - 1.43900 @ 20.00 °C.
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| boiling point : | 154.00 - 156.00 °C. @ 760.00 mm Hg
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| boiling point : | 55.00 - 57.00 °C. @ 15.00 mm Hg
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| logp : | 2.18 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 112.00 °F. TCC ( 44.44 °C. )
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| recommendation for (E)-ethyl tiglate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for (E)-ethyl tiglate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 259-688-8 |
| rtecs : | EM9252700 for 55514-48-2 |
| chemidplus : | 055514482 |
| epa-srs : | 55514-48-2 |
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| (EINECS) number : | 227-425-6 |
| chemidplus : | 5837-78-5 |
| epa-srs : | 5837-78-5 |
| dtp/nci : | 55278 |
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| other : | |
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| references : | |
| pubchem : | 685697 |
| NIST Chemistry WebBook : | 3476666039 |
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| pubchem : | 10526997 |
| NIST Chemistry WebBook : | 3843538453 |
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