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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,5-dimethylcyclopentane-1,2-dione |
| InChI : | InChI=1/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3 |
| InChIKey : | MIDXCONKKJTLDX-UHFFFAOYAD |
| SMILES : | CC1CC(C(=O)C1=O)C |
| (EINECS) number : | 236-811-3 |
| cas number : | 13494-07-0 |
| fema number : | 3269 |
| coe number : | 2235 |
| jecfa number : | 421 |
| fl. number : | 07.076 |
| molar refractivity : | 32.73 ± 0.3 cm3 |
| parachor : | 287.0 ± 6.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 1.036 ± 0.06 g/cm3 |
| polarizability : | 12.97 ± 0.5 10-24cm3 |
| xlogp : | 0.20 |
| molecular weight : | 126.1531000 |
| formula : | C7 H10 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | sweet caramel maple |
| taste description³ : | at 10.00 ppm. Brown, sweet, sugary, maple, caramellic |
| properties : | |
| appearence : | white to pale brown crystals |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 94.00 - 96.00 °C. @ 760.00 mm Hg
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| logp : | 0.53 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for caramel dione usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for caramel dione usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 236-811-3 |
| chemidplus : | 013494070 |
| epa-srs : | 13494-07-0 |
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| other : | |
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| references : | |
| pubchem : | 198020 |
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| reference : | Mosciano, Gerard P&F 19, No. 1, 27, (1994)³ |