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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | prop-2-enyl octanoate |
| InChI : | InChI=1/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey : | PZGMUSDNQDCNAG-UHFFFAOYAH |
| SMILES : | CCCCCCCC(=O)OCC=C |
| (EINECS) number : | 224-184-9 |
| cas number : | 4230-97-1 |
| beilstein number : | 1768774 |
| fema number : | 2037 |
| coe number : | 400 |
| jecfa number : | 5 |
| fl. number : | 09.119 |
| molar refractivity : | 54.51 ± 0.3 cm3 |
| parachor : | 483.5 ± 4.0 cm3 |
| index of refraction : | 1.435 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.883 ± 0.06 g/cm3 |
| polarizability : | 21.60 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | fatty |
| odor strength : | medium |
odor description :
at 100.00 %. | fatty waxy sweet fruity pineapple green tropical banana |
| taste description³ : | at 10.00 ppm.
Fatty, fruity, pineapple tropical-like |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87600 - 0.88400 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.298 to 7.364
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| refractive index : | 1.42500 - 1.43300 @ 20.00 °C.
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| boiling point : | 87.00 - 88.00 °C. @ 5.50 mm Hg
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| boiling point : | 223.00 - 225.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.18 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 0.67 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 0.62 gm/kg
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| flash point ( Deg. F. ) : | 174.00 °F. TCC ( 78.89 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl octanoate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for allyl octanoate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 224-184-9 |
| rtecs : | RH0365000 for 4230-97-1 |
| chemidplus : | 004230971 |
| epa-srs : | 4230-97-1 |
| dtp/nci : | 32645 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| jecfa number : | 5 |
| fl. number : | 09.119 |
| pubchem : | 163045 |
| NIST Chemistry WebBook : | 4237030375 |
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| reference : | Mosciano, Gerard P&F 17, No. 1, 41, (1992)³ |