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| IUPAC name : | ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate |
| InChI : | InChI=1/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3 |
| InChIKey : | XWEOGMYZFCHQNT-UHFFFAOYAL |
| SMILES : | CCOC(=O)CC1(OCCO1)C |
| (EINECS) number : | 229-114-0 |
| cas number : | 6413-10-1 |
| beilstein number : | 0130164 |
| fema number : | 4477 |
| molar refractivity : | 42.02 ± 0.3 cm3 |
| parachor : | 401.4 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 36.5 ± 3.0 dyne/cm |
| density : | 1.066 ± 0.06 g/cm3 |
| polarizability : | 16.66 ± 0.5 10-24cm3 |
| xlogp : | 0.50 |
| molecular weight : | 174.1943600 |
| formula : | C8 H14 O4 |
| BioActivity Analysis : | 72503 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | strong fruity apple green sweet woody |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.07910 - 1.08910 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.979 to 9.062
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| specific gravity : | 1.08400 - 1.09200 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.030 to 9.097
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| refractive index : | 1.42700 - 1.43700 @ 20.00 °C.
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| boiling point : | 125.00 °C. @ 760.00 mm Hg
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| logp : | 0.98 |
| safety : | |
| most important hazard(s) : |
None - None |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00
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| flash point ( Deg. F. ) : | 199.00 °F. TCC ( 92.78 °C. )
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| recommendation for apple ketal usage levels up to : |
| | 30.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 229-114-0 |
| chemidplus : | 006413101 |
| epa-srs : | 6413-10-1 |
| dtp/nci : | 6537 |
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| other : | |
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| references : | |
| pubchem : | 657838 |
| NIST Chemistry WebBook : | 3979812621 |
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