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| IUPAC name : | [(Z)-hex-3-enyl] (E)-hex-2-enoate |
| InChI : | InChI=1/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+ |
| InChIKey : | WAZKUHYKUCORDK-SUTBWYPIBX |
| SMILES : | CCC\C=C\C(=O)OCC\C=C/CC |
| cas number : | 53398-87-1 |
| fema number : | 3928 |
| coe number : | 9568 |
| jecfa number : | 1279 |
| fl. number : | 09.568 |
| molar refractivity : | 59.53 ± 0.3 cm3 |
| parachor : | 508.7 ± 4.0 cm3 |
| index of refraction : | 1.460 ± 0.02 |
| surface tension : | 30.0 ± 3.0 dyne/cm |
| density : | 0.903 ± 0.06 g/cm3 |
| polarizability : | 23.60 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | green fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 90.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89700 - 0.90500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.464 to 7.531
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| refractive index : | 1.45300 - 1.46100 @ 20.00 °C.
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| boiling point : | 114.00 - 115.00 °C. @ 15.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 243.00 °F. TCC ( 117.22 °C. )
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| recommendation for (Z)-3-hexen-1-yl (E)-2-hexenoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| safety links : | |
| chemidplus : | 53398-87-1 |
| epa-srs : | 53398-87-1 |
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| other : | |
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| references : | |
| jecfa number : | 1279 |
| fl. number : | 09.568 |
| pubchem : | 10525733 |
| NIST Chemistry WebBook : | 937100552 |
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