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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-methylbutyl 2-oxopropanoate |
| InChI : | InChI=1/C8H14O3/c1-6(2)4-5-11-8(10)7(3)9/h6H,4-5H2,1-3H3 |
| InChIKey : | LBKWGGFVEDOVEP-UHFFFAOYAA |
| SMILES : | CC(C)CCOC(=O)C(=O)C |
| (EINECS) number : | 231-934-9 |
| cas number : | 7779-72-8 |
| fema number : | 2083 |
| coe number : | 431 |
| jecfa number : | 939 |
| fl. number : | 09.443 |
| molar refractivity : | 40.87 ± 0.3 cm3 |
| parachor : | 377.6 ± 4.0 cm3 |
| index of refraction : | 1.419 ± 0.02 |
| surface tension : | 29.8 ± 3.0 dyne/cm |
| density : | 0.979 ± 0.06 g/cm3 |
| polarizability : | 16.20 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 158.1949600 |
| formula : | C8 H14 O3 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam rum arrack |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97800 @ 25.00 °C.
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| refractive index : | 1.41900 @ 20.00 °C.
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| boiling point : | 185.00 °C. @ 760.00 mm Hg
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| boiling point : | 86.00 °C. @ 14.00 mm Hg
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| logp : | 1.46 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 169.00 °F. TCC ( 76.11 °C. )
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| recommendation for isoamyl pyruvate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for isoamyl pyruvate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-934-9 |
| chemidplus : | 007779728 |
| epa-srs : | 7779-72-8 |
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| other : | |
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| references : | |
| pubchem : | 204211 |
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