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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | prop-2-enyl 2-(phenoxy)acetate |
| InChI : | InChI=1/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
| InChIKey : | VUFZVGQUAVDKMC-UHFFFAOYAL |
| SMILES : | C=CCOC(=O)COC1=CC=CC=C1 |
| (EINECS) number : | 231-335-2 |
| cas number : | 7493-74-5 |
| beilstein number : | 2102680 |
| fema number : | 2038 |
| coe number : | 228 |
| jecfa number : | 18 |
| fl. number : | 09.701 |
| molar refractivity : | 52.96 ± 0.3 cm3 |
| parachor : | 436.8 ± 4.0 cm3 |
| index of refraction : | 1.506 ± 0.02 |
| surface tension : | 36.2 ± 3.0 dyne/cm |
| density : | 1.079 ± 0.06 g/cm3 |
| polarizability : | 20.99 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fresh honey pineapple |
| substantivity : | 304 Hour(s) |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10000 - 1.10500 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.153 to 9.195
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| refractive index : | 1.51400 - 1.51700 @ 20.00 °C.
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| boiling point : | 100.00 - 102.00 °C. @ 1.00 mm Hg
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| boiling point : | 265.00 - 266.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.27 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 475.00 ul/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 820.00 ul/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl phenoxyacetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for allyl phenoxyacetate usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-335-2 |
| rtecs : | AJ2240000 for 7493-74-5 |
| chemidplus : | 007493745 |
| epa-srs : | 7493-74-5 |
| dtp/nci : | 408892 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| jecfa number : | 18 |
| fl. number : | 09.701 |
| pubchem : | 166640 |
| NIST Chemistry WebBook : | 1702788968 |
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