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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 5-methylhexane-2,3-dione |
| InChI : | InChI=1/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3 |
| InChIKey : | PQCLJXVUAWLNSV-UHFFFAOYAN |
| SMILES : | CC(C)CC(=O)C(=O)C |
| (EINECS) number : | 237-241-8 |
| cas number : | 13706-86-0 |
| beilstein number : | 1745751 |
| fema number : | 3190 |
| coe number : | 11148 |
| jecfa number : | 414 |
| fl. number : | 07.093 |
| molar refractivity : | 34.49 ± 0.3 cm3 |
| parachor : | 318.1 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 27.6 ± 3.0 dyne/cm |
| density : | 0.924 ± 0.06 g/cm3 |
| polarizability : | 13.67 ± 0.5 10-24cm3 |
| xlogp : | 1.10 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in propylene glycol. | sweet sharp fruity creamy brown butter |
| taste description³ : | at 50.00 ppm. Fruity, creamy with a pineapple nuance |
| properties : | |
| appearence : | yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90800 @ 25.00 °C.
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| refractive index : | 1.41190 @ 20.00 °C.
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| boiling point : | 138.00 °C. @ 760.00 mm Hg
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| logp : | 0.06 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 107.00 °F. TCC ( 41.67 °C. )
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| IFRA critical Effect : | Sensitisation |
| recommendation for acetyl isovaleryl usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for acetyl isovaleryl usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 237-241-8 |
| chemidplus : | 013706860 |
| epa-srs : | 13706-86-0 |
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| ifra : | ifra - ( Found under : Acetyl isovaleryl ) |
| other : | |
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| references : | |
| pubchem : | 168952 |
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| reference : | Mosciano, Gerard P&F 16, No. 6, 43, (1991)³ |