| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | hexane-3,4-dione |
| InChI : | InChI=1/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3 |
| InChIKey : | KVFQMAZOBTXCAZ-UHFFFAOYAQ |
| SMILES : | CCC(=O)C(=O)CC |
| (EINECS) number : | 224-651-7 |
| cas number : | 4437-51-8 |
| fema number : | 3168 |
| coe number : | 2255 |
| jecfa number : | 413 |
| fl. number : | 07.077 |
| molar refractivity : | 29.90 ± 0.3 cm3 |
| parachor : | 280.9 ± 4.0 cm3 |
| index of refraction : | 1.405 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.936 ± 0.06 g/cm3 |
| polarizability : | 11.85 ± 0.5 10-24cm3 |
| xlogp : | 0.30 |
| molecular weight : | 114.1424000 |
| formula : | C6 H10 O2 |
|
|
| |
| |
| fda reg : | unspecified |
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. | buttery toasted almond nutty caramel |
| properties : | |
| appearence : | yellow clear oily liquid |
| assay : | 93.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94000 - 0.94900 @ 20.00 °C.
|
| pounds per gallon - calc. : | 7.831 to 7.906
|
| refractive index : | 1.40700 - 1.41200 @ 20.00 °C.
|
| melting point : | -10.00 °C. @ 760.00 mm Hg
|
| boiling point : | 123.00 - 125.00 °C. @ 760.00 mm Hg
|
| boiling point : | 49.00 °C. @ 13.00 mm Hg
|
| logp : | -0.35 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 88.00 °F. TCC ( 31.11 °C. )
|
| | |
| recommendation for 3,4-hexane dione usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
|
| | |
| recommendation for 3,4-hexane dione usage levels up to : |
| | 10.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 224-651-7 |
| chemidplus : | 004437518 |
| epa-srs : | 4437-51-8 |
| dtp/nci : | 23255 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 413 |
| fl. number : | 07.077 |
| pubchem : | 203987 |
| NIST Chemistry WebBook : | 2255184256 |
| | |