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| IUPAC name : | propan-2-yl hexanoate |
| InChI : | InChI=1/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey : | JSHDAORXSNJOBA-UHFFFAOYAB |
| SMILES : | CCCCCC(=O)OC(C)C |
| (EINECS) number : | 219-000-9 |
| cas number : | 2311-46-8 |
| fema number : | 2950 |
| coe number : | 312 |
| jecfa number : | 308 |
| fl. number : | 09.062 |
| 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 : | 3.10 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fruity pineapple logenberry berry |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85300 - 0.85800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.106 to 7.148
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| refractive index : | 1.40300 - 1.40800 @ 20.00 °C.
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| boiling point : | 172.00 - 173.00 °C. @ 760.00 mm Hg
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| boiling point : | 74.00 °C. @ 20.00 mm Hg
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| logp : | 3.25 |
| 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) : | 3.20 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 120.00 °F. TCC ( 48.89 °C. )
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| recommendation for isopropyl hexanoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for isopropyl hexanoate usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-000-9 |
| chemidplus : | 002311468 |
| epa-srs : | 2311-46-8 |
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| other : | |
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| references : | |
| pubchem : | 160049 |
| NIST Chemistry WebBook : | 3116812007 |
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