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| IUPAC name : | butanal |
| InChI : | InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
| InChIKey : | ZTQSAGDEMFDKMZ-UHFFFAOYAZ |
| SMILES : | CCCC=O |
| (EINECS) number : | 204-646-6 |
| eu annex : | 605-006-00-2 |
| cas number : | 123-72-8 |
| beilstein number : | 0506061 |
| fema number : | 2219 |
| coe number : | 91 |
| jecfa number : | 86 |
| fl. number : | 05.003 |
| molar refractivity : | 20.76 ± 0.3 cm3 |
| parachor : | 200.1 ± 4.0 cm3 |
| index of refraction : | 1.369 ± 0.02 |
| surface tension : | 22.5 ± 3.0 dyne/cm |
| density : | 0.784 ± 0.06 g/cm3 |
| polarizability : | 8.23 ± 0.5 10-24cm3 |
| xlogp : | 1.20 |
| molecular weight : | 72.1057200 |
| formula : | C4 H8 O |
| BioActivity Analysis : | 17389673 |
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| fda reg : | 172.515 175.105 176.170 |
h. number : | 2912.13.0000 |
| organoleptics : | |
| odor type : | chocolate |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | pungent cocoa musty green malty bready |
| taste description³ : | at 10.00 ppm. Cocoa, green, grainy, fermented |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.79700 - 0.80200 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.632 to 6.673
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| refractive index : | 1.37900 @ 20.00 °C.
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| melting point : | -96.00 °C. @ 760.00 mm Hg
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| boiling point : | 74.00 - 75.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 0.88 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 2490.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 3560.00 ul/kg
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| flash point ( Deg. F. ) : | 12.00 °F. TCC ( -11.11 °C. )
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| recommendation for butyraldehyde usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| recommendation for butyraldehyde usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-646-6 |
| rtecs : | ES2275000 for 123-72-8 |
| chemidplus : | 000123728 |
| epa-srs : | 123-72-8 |
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| other : | |
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| references : | |
| pubchem : | 173310 |
| NIST Chemistry WebBook : | 3413005147 |
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| reference : | Mosciano, Gerard P&F 24, No. 2, 49, (1999)³ |