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| IUPAC name : | methyl 2-methylpentanoate |
| InChI : | InChI=1/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3 |
| InChIKey : | ZTULNMNIVVMLIU-UHFFFAOYAZ |
| SMILES : | CCCC(C)C(=O)OC |
| (EINECS) number : | 218-543-9 |
| cas number : | 2177-77-7 |
| fema number : | 3707 |
| jecfa number : | 213 |
| fl. number : | 09.549 |
| molar refractivity : | 36.21 ± 0.3 cm3 |
| parachor : | 332.7 ± 4.0 cm3 |
| index of refraction : | 1.404 ± 0.02 |
| surface tension : | 25.5 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 14.35 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| IUPAC name : | methyl (2R)-2-methylpentanoate |
| InChI : | InChI=1/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3/t6-/m1/s1 |
| InChIKey : | ZTULNMNIVVMLIU-ZCFIWIBFBY |
| SMILES : | CCC[C@@H](C)C(=O)OC |
| cas number : | 2177-77-7 |
| molar refractivity : | 36.21 ± 0.3 cm3 |
| parachor : | 332.7 ± 4.0 cm3 |
| index of refraction : | 1.404 ± 0.02 |
| surface tension : | 25.5 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 14.35 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| IUPAC name : | methyl (2S)-2-methylpentanoate |
| InChI : | InChI=1/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3/t6-/m0/s1 |
| InChIKey : | ZTULNMNIVVMLIU-LURJTMIEBW |
| SMILES : | CCC[C@H](C)C(=O)OC |
| cas number : | 2177-77-7 |
| molar refractivity : | 36.21 ± 0.3 cm3 |
| parachor : | 332.7 ± 4.0 cm3 |
| index of refraction : | 1.404 ± 0.02 |
| surface tension : | 25.5 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 14.35 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fruity berry apple tropical |
| taste description³ : | at 5.00 ppm.
Fruity, green apple, grape, bubble gum and pineapple-like |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87100 - 0.88100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.248 to 7.331
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| refractive index : | 1.39800 - 1.40800 @ 20.00 °C.
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| boiling point : | 45.00 °C. @ 0.20 mm Hg
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| boiling point : | 85.00 °C. @ 18.00 mm Hg
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| logp : | 2.12 |
| 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) : | 0.17 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 95.00 °F. TCC ( 35.00 °C. )
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| recommendation for methyl 2-methyl valerate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for methyl 2-methyl valerate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 218-543-9 |
| chemidplus : | 002177777 |
| epa-srs : | 2177-77-7 |
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| chemidplus : | 2177-77-7 |
| epa-srs : | 2177-77-7 |
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| chemidplus : | 2177-77-7 |
| epa-srs : | 2177-77-7 |
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| other : | |
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| references : | |
| pubchem : | 203838 |
| NIST Chemistry WebBook : | 2937947723 |
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| pubchem : | 43607071 |
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| pubchem : | 43763754 |
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| reference : | Mosciano, Gerard P&F 18, No. 3, 53, (1993)³ |