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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | pentane-2,4-dione |
| InChI : | InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 |
| InChIKey : | YRKCREAYFQTBPV-UHFFFAOYAO |
| SMILES : | CC(=O)CC(=O)C |
| (EINECS) number : | 204-634-0 |
| eu annex : | 606-029-00-0 |
| cas number : | 123-54-6 |
| beilstein number : | 0741937 |
| coe number : | 11036 |
| fl. number : | 07.191 |
| molar refractivity : | 25.27 ± 0.3 cm3 |
| parachor : | 241.2 ± 4.0 cm3 |
| index of refraction : | 1.395 ± 0.02 |
| surface tension : | 27.5 ± 3.0 dyne/cm |
| density : | 0.950 ± 0.06 g/cm3 |
| polarizability : | 10.01 ± 0.5 10-24cm3 |
| xlogp : | 0.20 |
| molecular weight : | 100.1158200 |
| formula : | C5 H8 O2 |
| BioActivity Analysis : | 48415171 |
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| fda reg : | unspecified |
h. number : | 2914.19.0000 |
| organoleptics : | |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 90.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97500 @ 25.00 °C.
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| melting point : | -23.00 °C. @ 760.00 mm Hg
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| boiling point : | 138.00 - 140.00 °C. @ 760.00 mm Hg
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| logp : | 0.34 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 55.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 810.00 mg/kg
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| flash point ( Deg. F. ) : | 94.00 °F. TCC ( 34.44 °C. )
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| recommendation for acetyl acetone usage levels up to : |
| | not for fragrance use.
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| recommendation for acetyl acetone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 204-634-0 |
| rtecs : | SA1925000 for 123-54-6 |
| toxnet : | 123-54-6 |
| epa-srs : | 123-54-6 |
| pubchem : | 123-54-6 |
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| other : | |
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| references : | |