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| IUPAC name : | methyl hex-2-enoate |
| InChI : | InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3 |
| InChIKey : | GFUGBRNILVVWIE-UHFFFAOYAQ |
| SMILES : | CCCC=CC(=O)OC |
| cas number : | 2396-77-2 |
| fema number : | 2709 |
| coe number : | 583 |
| molar refractivity : | 36.31 ± 0.3 cm3 |
| parachor : | 322.5 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 27.2 ± 3.0 dyne/cm |
| density : | 0.907 ± 0.06 g/cm3 |
| polarizability : | 14.39 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| IUPAC name : | methyl (E)-hex-2-enoate |
| InChI : | InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey : | GFUGBRNILVVWIE-AATRIKPKBK |
| SMILES : | CCC\C=C\C(=O)OC |
| (EINECS) number : | 237-663-2 |
| cas number : | 13894-63-8 |
| fema number : | 2709 |
| coe number : | 583 |
| fl. number : | 09.181 |
| molar refractivity : | 36.31 ± 0.3 cm3 |
| parachor : | 322.5 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 27.2 ± 3.0 dyne/cm |
| density : | 0.907 ± 0.06 g/cm3 |
| polarizability : | 14.39 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity green banana honey |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91490 @ 25.00 °C.
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| refractive index : | 1.43200 - 1.43600 @ 20.00 °C.
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| boiling point : | 53.00 °C. @ 20.00 mm Hg
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| boiling point : | 150.00 - 151.00 °C. @ 760.00 mm Hg
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| logp : | 2.38 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Mouse >3.10 gm/kg
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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 methyl (E)-2-hexenoate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for methyl (E)-2-hexenoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| chemidplus : | 002396772 |
| epa-srs : | 2396-77-2 |
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| (EINECS) number : | 237-663-2 |
| chemidplus : | 013894638 |
| epa-srs : | 13894-63-8 |
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| other : | |
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| references : | |
| pubchem : | 197579 |
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| pubchem : | 694067 |
| NIST Chemistry WebBook : | 3523074848 |
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