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| IUPAC name : | butyl nonanoate |
| InChI : | InChI=1/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3 |
| InChIKey : | DOLFPCDDMUMIMR-UHFFFAOYAE |
| SMILES : | CCCCCCCCC(=O)OCCCC |
| (EINECS) number : | 256-661-2 |
| cas number : | 50623-57-9 |
| fl. number : | 09.334 |
| molar refractivity : | 64.05 ± 0.3 cm3 |
| parachor : | 574.0 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 25.39 ± 0.5 10-24cm3 |
| xlogp : | 5.30 |
| molecular weight : | 214.3443400 |
| formula : | C13 H26 O2 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | orange apricot rose |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86500 @ 15.50 °C.
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| specific gravity : | 0.84900 - 0.85500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.065 to 7.114
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| refractive index : | 1.42300 - 1.42900 @ 20.00 °C.
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| boiling point : | 270.00 °C. @ 760.00 mm Hg
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| logp : | 5.28 |
| 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) : | 1.60 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 229.00 °F. TCC ( 109.44 °C. )
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| recommendation for butyl nonanoate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for butyl nonanoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 256-661-2 |
| chemidplus : | 050623579 |
| epa-srs : | 50623-57-9 |
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| other : | |
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| references : | |
| pubchem : | 180717 |
| NIST Chemistry WebBook : | 2267808324 |
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