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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4,4-dimethoxybutan-2-one |
| InChI : | InChI=1/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
| InChIKey : | PJCCSZUMZMCWSX-UHFFFAOYAO |
| SMILES : | CC(=O)CC(OC)OC |
| (EINECS) number : | 226-605-1 |
| cas number : | 5436-21-5 |
| fema number : | 3381 |
| coe number : | 10029 |
| jecfa number : | 593 |
| fl. number : | 06.038 |
| molar refractivity : | 33.32 ± 0.3 cm3 |
| parachor : | 312.6 ± 4.0 cm3 |
| index of refraction : | 1.398 ± 0.02 |
| surface tension : | 26.5 ± 3.0 dyne/cm |
| density : | 0.959 ± 0.06 g/cm3 |
| polarizability : | 13.21 ± 0.5 10-24cm3 |
| xlogp : | -0.20 |
| molecular weight : | 132.1576800 |
| formula : | C6 H12 O3 |
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| fda reg : | unspecified |
h. number : | 2914.50.5000 |
| organoleptics : | |
| odor type : | ethereal |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | ethereal musty nutty alcoholic bitter |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99300 - 0.99800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.263 to 8.304
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| refractive index : | 1.41400 - 1.42400 @ 20.00 °C.
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| boiling point : | 178.00 °C. @ 760.00 mm Hg
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| boiling point : | 70.00 - 73.00 °C. @ 20.00 mm Hg
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| logp : | 0.33 |
| safety : | |
| Oral Toxicity(LD50) : |
Gavage-Rat [sex: M] 6200.00 mg/kg (EPA, 1971)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.012 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 121.00 °F. TCC ( 49.44 °C. )
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| recommendation for acetyl acetaldehyde dimethyl acetal usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 226-605-1 |
| toxnet : | 5436-21-5 |
| epa-srs : | 5436-21-5 |
| pubchem : | 5436-21-5 |
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| references : | |