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| IUPAC name : | methyl 4-methylpentanoate |
| InChI : | InChI=1/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3 |
| InChIKey : | KBCOVKHULBZKNY-UHFFFAOYAS |
| SMILES : | CC(C)CCC(=O)OC |
| (EINECS) number : | 219-320-9 |
| cas number : | 2412-80-8 |
| fema number : | 2721 |
| coe number : | 322 |
| jecfa number : | 216 |
| fl. number : | 09.432 |
| 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 : | 2.10 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| fda reg : | 172.515 |
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 sweet banana pineapple cheese |
| taste description³ : | at 50.00 ppm. Fruity, sweet, banana, pineapple, apple-like with ripe candy nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88800 @ 25.00 °C.
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| refractive index : | 1.40400 @ 20.00 °C.
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| boiling point : | 139.00 - 140.00 °C. @ 760.00 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) : | 0.03 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 103.00 °F. TCC ( 39.44 °C. )
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| recommendation for methyl 4-methyl valerate usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for methyl 4-methyl valerate usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-320-9 |
| chemidplus : | 002412808 |
| epa-srs : | 2412-80-8 |
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| other : | |
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| references : | |
| pubchem : | 160217 |
| NIST Chemistry WebBook : | 70607784 |
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| reference : | Mosciano, Gerard P&F 17, No. 3, 57, (1992)³ |