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| IUPAC name : | propyl 3-methylbutanoate |
| InChI : | InChI=1/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey : | LSJMDWFAADPNAX-UHFFFAOYAD |
| SMILES : | CCCOC(=O)CC(C)C |
| (EINECS) number : | 209-148-2 |
| cas number : | 557-00-6 |
| beilstein number : | 1747146 |
| fema number : | 2960 |
| coe number : | 443 |
| jecfa number : | 197 |
| fl. number : | 09.448 |
| molar refractivity : | 40.84 ± 0.3 cm3 |
| parachor : | 372.5 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 16.19 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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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 %. | bitter sweet apple fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86000 - 0.86600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.156 to 7.206
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| refractive index : | 1.40000 - 1.40500 @ 20.00 °C.
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| boiling point : | 156.00 - 157.00 °C. @ 760.00 mm Hg
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| boiling point : | 78.00 - 79.00 °C. @ 50.00 mm Hg
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| logp : | 2.76 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rabbit 8220.00 mg/kg (Munch,1972)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 2.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 90.00 °F. TCC ( 32.22 °C. )
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| recommendation for propyl isovalerate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for propyl isovalerate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 209-148-2 |
| chemidplus : | 000557006 |
| epa-srs : | 557-00-6 |
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| other : | |
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| references : | |
| pubchem : | 154478 |
| NIST Chemistry WebBook : | 469442559 |
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