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| IUPAC name : | propan-2-yl 2-methylbutanoate |
| InChI : | InChI=1/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 |
| InChIKey : | DIRDKDDFAMNBNY-UHFFFAOYAW |
| SMILES : | CCC(C)C(=O)OC(C)C |
| (EINECS) number : | 266-411-4 |
| cas number : | 66576-71-4 |
| fema number : | 3699 |
| jecfa number : | 210 |
| fl. number : | 09.547 |
| molar refractivity : | 40.80 ± 0.3 cm3 |
| parachor : | 369.9 ± 4.0 cm3 |
| index of refraction : | 1.409 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 16.17 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Givaudan : | Isopropyl Methyl-2-Butyrate |
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| Oxford Chemicals Ltd : | ISOPROPYL 2-METHYLBUTYRATE |
| | ≥98.00%, NI, Kosher |
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| Sigma-Aldrich-SAFC : | Isopropyl 2-methylbutyrate |
| | ≥98%, Kosher |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fruity sweet green oily etherial tropical pineapple |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85000 - 0.85600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.073 to 7.123
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| refractive index : | 1.39400 - 1.39800 @ 20.00 °C.
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| boiling point : | 140.00 - 144.00 °C. @ 727.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.47 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 91.00 °F. TCC ( 32.78 °C. )
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| recommendation for isopropyl 2-methyl butyrate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for isopropyl 2-methyl butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 266-411-4 |
| chemidplus : | 066576714 |
| epa-srs : | 66576-71-4 |
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other :
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references :
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| jecfa number : | 210 |
| fl. number : | 09.547 |
| pubchem : | 199008 |
| NIST Chemistry WebBook : | 4124710108 |
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