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| IUPAC name : | ethyl 2-methylbutanoate |
| InChI : | InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3 |
| InChIKey : | HCRBXQFHJMCTLF-UHFFFAOYAD |
| SMILES : | CCC(C)C(=O)OCC |
| (EINECS) number : | 231-225-4 |
| cas number : | 7452-79-1 |
| fema number : | 2443 |
| coe number : | 265 |
| jecfa number : | 206 |
| fl. number : | 09.409 |
| 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 : | 1.80 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| IUPAC name : | ethyl (2R)-2-methylbutanoate |
| InChI : | InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3/t6-/m1/s1 |
| InChIKey : | HCRBXQFHJMCTLF-ZCFIWIBFBC |
| SMILES : | CC[C@@H](C)C(=O)OCC |
| cas number : | 7452-79-1 |
| 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 : | 1.80 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| IUPAC name : | ethyl (2S)-2-methylbutanoate |
| InChI : | InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3/t6-/m0/s1 |
| InChIKey : | HCRBXQFHJMCTLF-LURJTMIEBA |
| SMILES : | CC[C@H](C)C(=O)OCC |
| cas number : | 7452-79-1 |
| 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 : | 1.80 |
| 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. | sharp sweet green apple fruity |
| taste description³ : | at 10.00 ppm.
Fruity, fresh, berry, grape, pineapple, mango and cherry notes |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.86300 - 0.87000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.181 to 7.239
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| refractive index : | 1.39300 - 1.40000 @ 20.00 °C.
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| boiling point : | 132.00 - 133.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 1.59 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 2200.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 79.00 °F. TCC ( 26.11 °C. )
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| recommendation for ethyl 2-methyl butyrate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for ethyl 2-methyl butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-225-4 |
| chemidplus : | 007452791 |
| epa-srs : | 7452-79-1 |
| dtp/nci : | 1103 |
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| chemidplus : | 7452-79-1 |
| epa-srs : | 7452-79-1 |
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| chemidplus : | 7452-79-1 |
| epa-srs : | 7452-79-1 |
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| other : | |
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| references : | |
| pubchem : | 166555 |
| NIST Chemistry WebBook : | 4192868419 |
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| pubchem : | 43752979 |
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| pubchem : | 10545170 |
| NIST Chemistry WebBook : | 954863624 |
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| reference : | Mosciano, Gerard P&F 22, No. 1, 57, (1997)³ |