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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate |
| InChI : | InChI=1/C12H20O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h6-7,9H,4-5,8,10H2,1-3H3/b7-6+,11-9- |
| InChIKey : | RTISFZCHFHFOOK-FKTQTOOFBY |
| SMILES : | CC\C=C\CCOC(=O)/C(=C\CC)/C |
| (EINECS) number : | 278-511-5 |
| cas number : | 76649-17-7 |
| molar refractivity : | 59.37 ± 0.3 cm3 |
| parachor : | 504.9 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.904 ± 0.06 g/cm3 |
| polarizability : | 23.53 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | powerful natural green fruity waxy |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90100 - 0.91200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.497 to 7.589
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| refractive index : | 1.45500 - 1.46500 @ 20.00 °C.
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| boiling point : | 125.00 °C. @ 25.00 mm Hg
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| logp : | 4.73 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 220.00 °F. TCC ( 104.44 °C. )
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| recommendation for (Z)-3-hexen-1-yl 2-methyl-2-pentenoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for (Z)-3-hexen-1-yl 2-methyl-2-pentenoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 278-511-5 |
| chemidplus : | 076649177 |
| epa-srs : | 76649-17-7 |
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| other : | |
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| references : | |
| pubchem : | 750878 |
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