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| IUPAC name : | heptane-2,3-dione |
| InChI : | InChI=1/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3 |
| InChIKey : | FJPGAMCQJNLTJC-UHFFFAOYAR |
| SMILES : | CCCCC(=O)C(=O)C |
| (EINECS) number : | 202-472-5 |
| cas number : | 96-04-8 |
| fema number : | 2543 |
| coe number : | 2044 |
| jecfa number : | 415 |
| fl. number : | 07.064 |
| molar refractivity : | 34.53 ± 0.3 cm3 |
| parachor : | 320.7 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.926 ± 0.06 g/cm3 |
| polarizability : | 13.69 ± 0.5 10-24cm3 |
| xlogp : | 1.20 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | 172.515 |
h. number : | 2914.10 |
| organoleptics : | |
| odor type : | buttery |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | butter cheese oily |
| properties : | |
| appearence : | yellowish clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91600 - 0.92300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.622 to 7.680
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| refractive index : | 1.41100 - 1.41800 @ 20.00 °C.
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| boiling point : | 64.00 °C. @ 18.00 mm Hg
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| logp : | 0.26 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 105.00 °F. TCC ( 40.56 °C. )
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| recommendation for 2,3-heptane dione usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for 2,3-heptane dione usage levels up to : |
| | 8.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 202-472-5 |
| chemidplus : | 000096048 |
| epa-srs : | 96-04-8 |
| dtp/nci : | 31668 |
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| other : | |
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| references : | |
| jecfa number : | 415 |
| fl. number : | 07.064 |
| pubchem : | 197201 |
| NIST Chemistry WebBook : | 4037460329 |
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