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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | prop-2-enyl butanoate |
| InChI : | InChI=1/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3 |
| InChIKey : | RMZIOVJHUJAAEY-UHFFFAOYAX |
| SMILES : | CCCC(=O)OCC=C |
| (EINECS) number : | 218-129-8 |
| cas number : | 2051-78-7 |
| beilstein number : | 1751642 |
| fema number : | 2021 |
| coe number : | 280 |
| jecfa number : | 2 |
| fl. number : | 09.054 |
| molar refractivity : | 35.97 ± 0.3 cm3 |
| parachor : | 324.3 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 26.7 ± 3.0 dyne/cm |
| density : | 0.898 ± 0.06 g/cm3 |
| polarizability : | 14.26 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet pungent fruity green pineapple waxy tropical |
| taste description³ : | at 10.00 ppm. Fruity green tropical with sweet fermented waxy nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90000 - 0.90500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.498 to 7.539
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| refractive index : | 1.41200 - 1.41700 @ 20.00 °C.
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| boiling point : | 154.00 - 155.00 °C. @ 760.00 mm Hg
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| boiling point : | 44.00 - 45.00 °C. @ 15.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.06 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 250.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 530.00 mg/kg
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| flash point ( Deg. F. ) : | 114.00 °F. TCC ( 45.56 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl butyrate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for allyl butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 218-129-8 |
| rtecs : | ES5775000 for 2051-78-7 |
| chemidplus : | 002051787 |
| epa-srs : | 2051-78-7 |
| dtp/nci : | 18600 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| pubchem : | 159584 |
| NIST Chemistry WebBook : | 2387746441 |
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| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ |