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| IUPAC name : | 3-methylbutanal |
| InChI : | InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
| InChIKey : | YGHRJJRRZDOVPD-UHFFFAOYAE |
| SMILES : | CC(C)CC=O |
| (EINECS) number : | 209-691-5 |
| cas number : | 590-86-3 |
| beilstein number : | 0773692 |
| fema number : | 2692 |
| coe number : | 94 |
| jecfa number : | 258 |
| fl. number : | 05.006 |
| molar refractivity : | 25.35 ± 0.3 cm3 |
| parachor : | 237.3 ± 4.0 cm3 |
| index of refraction : | 1.382 ± 0.02 |
| surface tension : | 22.6 ± 3.0 dyne/cm |
| density : | 0.791 ± 0.06 g/cm3 |
| polarizability : | 10.05 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 86.1323000 |
| formula : | C5 H10 O |
| BioActivity Analysis : | 48414811 |
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| fda reg : | 172.515 |
h. number : | 2912.19.0000 |
| organoleptics : | |
| odor type : | aldehydic |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | ethereal aldehydic chocolate peach fatty |
| substantivity : | 96 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.79500 - 0.80200 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.615 to 6.673
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| refractive index : | 1.38800 - 1.39100 @ 20.00 °C.
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| boiling point : | 90.00 - 93.00 °C. @ 760.00 mm Hg
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| acid value : | 10.00 max. KOH/g
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| logp : | 1.23 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 5600.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 3180.00 ul/kg
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| flash point ( Deg. F. ) : | 29.00 °F. TCC ( -1.67 °C. )
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| recommendation for isovaleraldehyde usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for isovaleraldehyde usage levels up to : |
| | 150.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 209-691-5 |
| rtecs : | ES3450000 for 590-86-3 |
| chemidplus : | 000590863 |
| epa-srs : | 590-86-3 |
| dtp/nci : | 404119 |
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| other : | |
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| references : | |
| pubchem : | 154858 |
| NIST Chemistry WebBook : | 2491312283 |
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