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| IUPAC name : | cyclohexyl 3-methylbutanoate |
| InChI : | InChI=1/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3 |
| InChIKey : | SQPOKBBCNZIWFI-UHFFFAOYAP |
| SMILES : | CC(C)CC(=O)OC1CCCCC1 |
| (EINECS) number : | 231-874-3 |
| cas number : | 7774-44-9 |
| fema number : | 2355 |
| coe number : | 459 |
| jecfa number : | 1096 |
| fl. number : | 09.464 |
| molar refractivity : | 52.74 ± 0.4 cm3 |
| parachor : | 462.4 ± 6.0 cm3 |
| index of refraction : | 1.449 ± 0.03 |
| surface tension : | 30.8 ± 5.0 dyne/cm |
| density : | 0.93 ± 0.1 g/cm3 |
| polarizability : | 20.90 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
| BioActivity Analysis : | 429828 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | apple banana fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92500 @ 25.00 °C.
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| boiling point : | 223.00 °C. @ 760.00 mm Hg
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| boiling point : | 58.00 - 62.00 °C. @ 0.50 mm Hg
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| logp : | 3.65 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for cyclohexyl isovalerate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for cyclohexyl isovalerate usage levels up to : |
| | 60.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-874-3 |
| chemidplus : | 007774449 |
| epa-srs : | 7774-44-9 |
| dtp/nci : | 147480 |
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| other : | |
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| references : | |
| pubchem : | 204183 |
| NIST Chemistry WebBook : | 788281573 |
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