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| IUPAC name : | heptyl 2-methylpropanoate |
| InChI : | InChI=1/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey : | RFDUMBPGZUIKOG-UHFFFAOYAH |
| SMILES : | CCCCCCCOC(=O)C(C)C |
| (EINECS) number : | 219-076-3 |
| cas number : | 2349-13-5 |
| fema number : | 2550 |
| coe number : | 295 |
| jecfa number : | 190 |
| fl. number : | 09.420 |
| molar refractivity : | 54.74 ± 0.3 cm3 |
| parachor : | 491.9 ± 4.0 cm3 |
| index of refraction : | 1.425 ± 0.02 |
| surface tension : | 27.9 ± 3.0 dyne/cm |
| density : | 0.870 ± 0.06 g/cm3 |
| polarizability : | 21.70 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 186.2911800 |
| formula : | C11 H22 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.6019 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet green fruity warm floral apple cherry apricot |
| taste description³ : | at 5.00 - 20.00 ppm.
Raspberry, pineapple fruity with citrus orange and green winey nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85100 - 0.90500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.081 to 7.531
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| refractive index : | 1.40900 - 1.43000 @ 20.00 °C.
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| boiling point : | 212.00 °C. @ 760.00 mm Hg
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| boiling point : | 98.00 °C. @ 10.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.24 |
| 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) : | 0.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 183.00 °F. TCC ( 83.89 °C. )
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| recommendation for heptyl isobutyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for heptyl isobutyrate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-076-3 |
| chemidplus : | 002349135 |
| epa-srs : | 2349-13-5 |
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| other : | |
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| references : | |
| pubchem : | 197574 |
| NIST Chemistry WebBook : | 3998842674 |
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| reference : | Mosciano, Gerard P&F 26, No. 3, 80, (2001)³ |