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| IUPAC name : | heptyl 2-methylbutanoate |
| InChI : | InChI=1/C12H24O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h11H,4-10H2,1-3H3 |
| InChIKey : | CSFWIAGTSVOEOD-UHFFFAOYAN |
| SMILES : | CCCCCCCOC(=O)C(C)CC |
| (EINECS) number : | 256-811-7 |
| cas number : | 50862-12-9 |
| coe number : | 10668 |
| fl. number : | 09.387 |
| molar refractivity : | 59.37 ± 0.3 cm3 |
| parachor : | 531.6 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 23.53 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
odor description :
| apple |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| refractive index : | 1.41800 - 1.42400 @ 20.00 °C.
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| boiling point : | 231.00 - 232.00 °C. @ 760.00 mm Hg
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| logp : | 4.78 |
| 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) : | <0.005 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for heptyl 2-methyl butyrate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 256-811-7 |
| chemidplus : | 050862129 |
| epa-srs : | 50862-12-9 |
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| other : | |
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| references : | |
| pubchem : | 3742508 |
| NIST Chemistry WebBook : | 4098307958 |
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