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| IUPAC name : | ethyl 2-methylpentanoate |
| InChI : | InChI=1/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3 |
| InChIKey : | HZPKNSYIDSNZKW-UHFFFAOYAS |
| SMILES : | CCCC(C)C(=O)OCC |
| (EINECS) number : | 254-384-1 |
| cas number : | 39255-32-8 |
| fema number : | 3488 |
| coe number : | 10616 |
| jecfa number : | 214 |
| fl. number : | 09.526 |
| molar refractivity : | 40.84 ± 0.3 cm3 |
| parachor : | 372.5 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 16.19 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| IUPAC name : | ethyl (2R)-2-methylpentanoate |
| InChI : | InChI=1/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3/t7-/m1/s1 |
| InChIKey : | HZPKNSYIDSNZKW-SSDOTTSWBC |
| SMILES : | CCC[C@@H](C)C(=O)OCC |
| cas number : | 39255-32-8 |
| molar refractivity : | 40.84 ± 0.3 cm3 |
| parachor : | 372.5 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 16.19 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| IUPAC name : | ethyl (2S)-2-methylpentanoate |
| InChI : | InChI=1/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3/t7-/m0/s1 |
| InChIKey : | HZPKNSYIDSNZKW-ZETCQYMHBE |
| SMILES : | CCC[C@H](C)C(=O)OCC |
| cas number : | 39255-32-8 |
| molar refractivity : | 40.84 ± 0.3 cm3 |
| parachor : | 372.5 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 16.19 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fresh fruity green melon apple skin pineapple natural wax fat |
| taste description³ : | at 30.00 ppm.
Cooling, green, cucumber, tropical and oily |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86100 - 0.86500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.164 to 7.198
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| refractive index : | 1.39900 - 1.40600 @ 20.00 °C.
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| boiling point : | 153.00 °C. @ 760.00 mm Hg
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| boiling point : | 60.00 °C. @ 15.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.65 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 7.60 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 105.00 °F. TCC ( 40.56 °C. )
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| recommendation for melon valerate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for melon valerate usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 254-384-1 |
| chemidplus : | 039255328 |
| epa-srs : | 39255-32-8 |
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| chemidplus : | 39255-32-8 |
| epa-srs : | 39255-32-8 |
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| chemidplus : | 39255-32-8 |
| epa-srs : | 39255-32-8 |
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| other : | |
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| references : | |
| pubchem : | 205088 |
| NIST Chemistry WebBook : | 3082413894 |
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| pubchem : | 43599175 |
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| pubchem : | 43599176 |
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| reference : | Mosciano, Gerard P&F 19, No. 3, 51, (1994)³ |