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| IUPAC name : | 1-phenylpropane-1,2-dione |
| InChI : | InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey : | BVQVLAIMHVDZEL-UHFFFAOYAG |
| SMILES : | CC(=O)C(=O)C1=CC=CC=C1 |
| (EINECS) number : | 209-435-2 |
| cas number : | 579-07-7 |
| fema number : | 3226 |
| coe number : | 2275 |
| jecfa number : | 833 |
| fl. number : | 07.079 |
| molar refractivity : | 40.94 ± 0.3 cm3 |
| parachor : | 337.3 ± 4.0 cm3 |
| index of refraction : | 1.520 ± 0.02 |
| surface tension : | 39.4 ± 3.0 dyne/cm |
| density : | 1.100 ± 0.06 g/cm3 |
| polarizability : | 16.23 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 148.1586200 |
| formula : | C9 H8 O2 |
| BioActivity Analysis : | 73475 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | plastic |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in propylene glycol. | plastic buttery honey |
| properties : | |
| appearence : | yellow clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09600 - 1.11600 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.120 to 9.286
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| refractive index : | 1.52600 - 1.53600 @ 20.00 °C.
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| melting point : | 18.00 - 19.00 °C. @ 760.00 mm Hg
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| boiling point : | 103.00 - 105.00 °C. @ 14.00 mm Hg
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| boiling point : | 222.00 °C. @ 760.00 mm Hg
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| logp : | 1.11 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 184.00 °F. TCC ( 84.44 °C. )
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| recommendation for 1-phenyl-1,2-propane dione usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 209-435-2 |
| chemidplus : | 000579077 |
| epa-srs : | 579-07-7 |
| dtp/nci : | 7643 |
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| other : | |
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| references : | |
| jecfa number : | 833 |
| fl. number : | 07.079 |
| pubchem : | 154664 |
| NIST Chemistry WebBook : | 74815089 |
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