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| IUPAC name : | butyl hexanoate |
| InChI : | InChI=1/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 |
| InChIKey : | RPRPDTXKGSIXMD-UHFFFAOYAC |
| SMILES : | CCCCCC(=O)OCCCC |
| (EINECS) number : | 210-964-6 |
| cas number : | 626-82-4 |
| beilstein number : | 1754426 |
| fema number : | 2201 |
| coe number : | 313 |
| jecfa number : | 162 |
| fl. number : | 09.063 |
| molar refractivity : | 50.15 ± 0.3 cm3 |
| parachor : | 454.7 ± 4.0 cm3 |
| index of refraction : | 1.422 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 19.88 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
| BioActivity Analysis : | 70419 |
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| fda reg : | 172.515 |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity berry pineapple wine |
| taste description³ : | at 10.00 ppm.
Fruity, pineapple, green, waxy, tutti-frutti, juicy with a slight fermented fruit note |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85700 - 0.86700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.131 to 7.214
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| refractive index : | 1.41300 - 1.42100 @ 20.00 °C.
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| melting point : | -64.00 - -63.00 °C. @ 760.00 mm Hg
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| boiling point : | 207.00 - 208.00 °C. @ 760.00 mm Hg
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| boiling point : | 61.00 - 62.00 °C. @ 3.00 mm Hg
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| logp : | 3.81 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 15.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 175.00 °F. TCC ( 79.44 °C. )
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| recommendation for butyl hexanoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for butyl hexanoate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 210-964-6 |
| rtecs : | MO6950000 for 626-82-4 |
| chemidplus : | 000626824 |
| epa-srs : | 626-82-4 |
| dtp/nci : | 4022 |
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| other : | |
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| references : | |
| pubchem : | 155617 |
| NIST Chemistry WebBook : | 2777814580 |
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| reference : | Mosciano, Gerard P&F 17, No. 6, 41, (1992)³ |