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| IUPAC name : | pentyl 2-methylbutanoate |
| InChI : | InChI=1/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3 |
| InChIKey : | RHNBXPIJLXBHMF-UHFFFAOYAX |
| SMILES : | CCCCCOC(=O)C(C)CC |
| (EINECS) number : | 268-244-2 |
| cas number : | 68039-26-9 |
| coe number : | 10875 |
| fl. number : | 09.679 |
| molar refractivity : | 50.11 ± 0.3 cm3 |
| parachor : | 452.1 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 27.4 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 19.86 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 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. | apple fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85800 - 0.86400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.139 to 7.189
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| refractive index : | 1.41200 - 1.41600 @ 20.00 °C.
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| boiling point : | 194.00 - 195.00 °C. @ 760.00 mm Hg
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| logp : | 3.71 |
| 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) : | 2.30 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 156.00 °F. TCC ( 68.89 °C. )
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| recommendation for amyl 2-methyl butyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 268-244-2 |
| chemidplus : | 068039269 |
| epa-srs : | 68039-26-9 |
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| other : | |
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| references : | |
| pubchem : | 684260 |
| NIST Chemistry WebBook : | 1253021421 |
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