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| IUPAC name : | 3-methylbutyl 3-oxobutanoate |
| InChI : | InChI=1/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3 |
| InChIKey : | XHRGPLDMNNGHCX-UHFFFAOYAJ |
| SMILES : | CC(C)CCOC(=O)CC(=O)C |
| (EINECS) number : | 218-991-5 |
| cas number : | 2308-18-1 |
| fema number : | 3551 |
| coe number : | 227 |
| jecfa number : | 598 |
| fl. number : | 09.401 |
| molar refractivity : | 45.50 ± 0.3 cm3 |
| parachor : | 417.3 ± 4.0 cm3 |
| index of refraction : | 1.424 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.967 ± 0.06 g/cm3 |
| polarizability : | 18.04 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 172.2215400 |
| formula : | C9 H16 O3 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | ethereal |
| odor strength : | medium |
odor description :
at 100.00 %. | ethereal sweet wine green |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96800 @ 25.00 °C.
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| refractive index : | 1.43100 @ 20.00 °C.
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| boiling point : | 89.00 - 91.00 °C. @ 6.00 mm Hg
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| boiling point : | 222.00 - 224.00 °C. @ 760.00 mm Hg
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| logp : | 2.13 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | ND (μg/capita/day) |
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| flash point ( Deg. F. ) : | 215.00 °F. TCC ( 101.67 °C. )
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| recommendation for isoamyl acetoacetate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 218-991-5 |
| chemidplus : | 002308181 |
| epa-srs : | 2308-18-1 |
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| other : | |
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| references : | |
| pubchem : | 197564 |
| NIST Chemistry WebBook : | 3289577801 |
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