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| IUPAC name : | methyl 2-methylpropanoate |
| InChI : | InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3 |
| InChIKey : | BHIWKHZACMWKOJ-UHFFFAOYAO |
| SMILES : | CC(C)C(=O)OC |
| (EINECS) number : | 208-929-5 |
| cas number : | 547-63-7 |
| beilstein number : | 1740720 |
| fema number : | 2694 |
| coe number : | 287 |
| jecfa number : | 185 |
| fl. number : | 09.412 |
| molar refractivity : | 26.94 ± 0.3 cm3 |
| parachor : | 253.1 ± 4.0 cm3 |
| index of refraction : | 1.385 ± 0.02 |
| surface tension : | 23.5 ± 3.0 dyne/cm |
| density : | 0.888 ± 0.06 g/cm3 |
| polarizability : | 10.68 ± 0.5 10-24cm3 |
| xlogp : | 0.80 |
| molecular weight : | 102.1317000 |
| formula : | C5 H10 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fruity floral apple pineapple |
| taste description³ : | at 35.00 ppm. Sweet, etherial, fruity and juicy fruit |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88400 - 0.88800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.356 to 7.389
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| refractive index : | 1.38200 - 1.38600 @ 20.00 °C.
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| melting point : | -85.00 - -84.00 °C. @ 760.00 mm Hg
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| boiling point : | 91.00 - 93.00 °C. @ 760.00 mm Hg
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| boiling point : | 38.00 - 39.00 °C. @ 100.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.28 |
| safety : | |
| most important hazard(s) : |
R 11 - Highly flammable. |
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| Oral Toxicity(LD50) : |
Oral-Rat 16000.00 mg/kg (Patty, 1982)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 23.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 38.00 °F. TCC ( 3.33 °C. )
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| recommendation for methyl isobutyrate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for methyl isobutyrate usage levels up to : |
| | 200.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 208-929-5 |
| rtecs : | NQ5425000 for 547-63-7 |
| chemidplus : | 000547637 |
| epa-srs : | 547-63-7 |
| dtp/nci : | 126780 |
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| other : | |
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| references : | |
| pubchem : | 154341 |
| NIST Chemistry WebBook : | 3252082125 |
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| reference : | Mosciano, Gerard P&F 19, No. 5, 79, (1994)³ |