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| IUPAC name : | butyl 2-methylbutanoate |
| InChI : | InChI=1/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3 |
| InChIKey : | OTKQNSSMCDLVQV-UHFFFAOYAT |
| SMILES : | CCCCOC(=O)C(C)CC |
| (EINECS) number : | 239-798-2 |
| cas number : | 15706-73-7 |
| fema number : | 3393 |
| coe number : | 10534 |
| jecfa number : | 207 |
| fl. number : | 09.519 |
| molar refractivity : | 45.47 ± 0.3 cm3 |
| parachor : | 412.3 ± 4.0 cm3 |
| index of refraction : | 1.416 ± 0.02 |
| surface tension : | 26.9 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 18.02 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
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| IUPAC name : | butyl (2R)-2-methylbutanoate |
| InChI : | InChI=1/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3/t8-/m1/s1 |
| InChIKey : | OTKQNSSMCDLVQV-MRVPVSSYBM |
| SMILES : | CCCCOC(=O)[C@H](C)CC |
| cas number : | 15706-73-7 |
| molar refractivity : | 45.47 ± 0.3 cm3 |
| parachor : | 412.3 ± 4.0 cm3 |
| index of refraction : | 1.416 ± 0.02 |
| surface tension : | 26.9 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 18.02 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
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| IUPAC name : | butyl (2S)-2-methylbutanoate |
| InChI : | InChI=1/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3/t8-/m0/s1 |
| InChIKey : | OTKQNSSMCDLVQV-QMMMGPOBBK |
| SMILES : | CCCCOC(=O)[C@@H](C)CC |
| cas number : | 15706-73-7 |
| molar refractivity : | 45.47 ± 0.3 cm3 |
| parachor : | 412.3 ± 4.0 cm3 |
| index of refraction : | 1.416 ± 0.02 |
| surface tension : | 26.9 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 18.02 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 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. | green fruity cocoa |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85900 - 0.86600 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.156 to 7.214
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| refractive index : | 1.40500 - 1.41100 @ 20.00 °C.
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| boiling point : | 174.00 - 175.00 °C. @ 760.00 mm Hg
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| logp : | 3.25 |
| 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) : | 26.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 135.00 °F. TCC ( 57.22 °C. )
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| recommendation for butyl 2-methyl butyrate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for butyl 2-methyl butyrate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 239-798-2 |
| chemidplus : | 015706737 |
| epa-srs : | 15706-73-7 |
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| chemidplus : | 15706-73-7 |
| epa-srs : | 15706-73-7 |
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| chemidplus : | 15706-73-7 |
| epa-srs : | 15706-73-7 |
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| other : | |
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| references : | |
| jecfa number : | 207 |
| fl. number : | 09.519 |
| pubchem : | 198202 |
| NIST Chemistry WebBook : | 3788498726 |
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| pubchem : | 43599213 |
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| pubchem : | 43599212 |
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