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| IUPAC name : | methyl non-2-enoate |
| InChI : | InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3 |
| InChIKey : | ZWNPUELCBZVMDA-UHFFFAOYAB |
| SMILES : | CCCCCCC=CC(=O)OC |
| (EINECS) number : | 203-908-7 |
| cas number : | 111-79-5 |
| fema number : | 2725 |
| coe number : | 2099 |
| fl. number : | 09.234 |
| molar refractivity : | 50.21 ± 0.3 cm3 |
| parachor : | 441.9 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 19.90 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
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| IUPAC name : | methyl (E)-non-2-enoate |
| InChI : | InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+ |
| InChIKey : | ZWNPUELCBZVMDA-CMDGGOBGBG |
| SMILES : | CCCCCC\C=C\C(=O)OC |
| cas number : | 111-79-5 |
| beilstein number : | 1754167 |
| molar refractivity : | 50.21 ± 0.3 cm3 |
| parachor : | 441.9 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 19.90 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
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| IUPAC name : | methyl (Z)-non-2-enoate |
| InChI : | InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8- |
| InChIKey : | ZWNPUELCBZVMDA-HJWRWDBZBA |
| SMILES : | CCCCCC\C=C/C(=O)OC |
| cas number : | 111-79-5 |
| molar refractivity : | 50.21 ± 0.3 cm3 |
| parachor : | 441.9 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 19.90 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet green waxy violet pear fruity melon vegetable |
| taste description³ : | at 5.00 ppm.
Green, waxy, oily, fruity, watermelon rind, pear- and apple-like |
| substantivity : | 16 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89100 - 0.89500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.414 to 7.447
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| refractive index : | 1.44200 - 1.44500 @ 20.00 °C.
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| boiling point : | 115.00 °C. @ 21.00 mm Hg
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| boiling point : | 146.00 °C. @ 30.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.97 |
| safety : | |
| most important hazard(s) : |
None - None |
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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. ) : | 196.00 °F. TCC ( 91.11 °C. )
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| recommendation for melon nonenoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for melon nonenoate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-908-7 |
| rtecs : | RA9470000 for 111-79-5 |
| chemidplus : | 000111795 |
| epa-srs : | 111-79-5 |
| dtp/nci : | 76416 |
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| chemidplus : | 111-79-5 |
| epa-srs : | 111-79-5 |
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| chemidplus : | 111-79-5 |
| epa-srs : | 111-79-5 |
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| other : | |
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| references : | |
| pubchem : | 151265 |
| NIST Chemistry WebBook : | 3702004500 |
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| pubchem : | 10367810 |
| NIST Chemistry WebBook : | 4039161888 |
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| pubchem : | 39382246 |
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| reference : | Mosciano, Gerard P&F 20, No. 3, 63, (1995)³ |