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| IUPAC name : | prop-2-enyl 2-ethylbutanoat |
| InChI : | InChI=1/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3 |
| InChIKey : | NBKXNUWCFMZFMM-UHFFFAOYAK |
| SMILES : | CCC(CC)C(=O)OCC=C |
| (EINECS) number : | 231-332-6 |
| cas number : | 7493-69-8 |
| fema number : | 2029 |
| coe number : | 281 |
| jecfa number : | 11 |
| fl. number : | 09.410 |
| molar refractivity : | 45.20 ± 0.3 cm3 |
| parachor : | 401.3 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 17.92 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 156.2221400 |
| formula : | C9 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 %. | nut fruit peach-pit cherry-pit ethereal |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88000 @ 25.00 °C.
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| refractive index : | 1.42400 @ 15.00 °C.
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| boiling point : | 58.00 - 60.00 °C. @ 6.00 mm Hg
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| boiling point : | 165.00 - 167.00 °C. @ 760.00 mm Hg
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| logp : | 2.94 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 130.00 °F. TCC ( 54.44 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl 2-ethyl butyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for allyl 2-ethyl butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-332-6 |
| chemidplus : | 007493698 |
| epa-srs : | 7493-69-8 |
| dtp/nci : | 32637 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| jecfa number : | 11 |
| fl. number : | 09.410 |
| pubchem : | 197665 |
| NIST Chemistry WebBook : | 4082584492 |
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