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| IUPAC name : | prop-2-enyl 2-phenylacetate |
| InChI : | InChI=1/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
| InChIKey : | ZCDYAMJXVAUTIM-UHFFFAOYAD |
| SMILES : | C=CCOC(=O)CC1=CC=CC=C1 |
| (EINECS) number : | 217-281-2 |
| cas number : | 1797-74-6 |
| beilstein number : | 1867491 |
| fema number : | 2039 |
| coe number : | 2162 |
| jecfa number : | 17 |
| fl. number : | 09.790 |
| molar refractivity : | 51.20 ± 0.3 cm3 |
| parachor : | 416.9 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.034 ± 0.06 g/cm3 |
| polarizability : | 20.29 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 176.2117800 |
| formula : | C11 H12 O2 |
| BioActivity Analysis : | 72539 |
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| fda reg : | 172.515 |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | honey |
| odor strength : | medium |
odor description :
at 100.00 %. | honey fruity rum |
| properties : | |
| appearence : | colorless clear viscous liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03600 @ 20.00 °C.
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| refractive index : | 1.50900 @ 20.00 °C.
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| refractive index : | 1.51220 @ 13.50 °C.
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| boiling point : | 239.00 - 240.00 °C. @ 760.00 mm Hg
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| boiling point : | 89.00 - 93.00 °C. @ 3.00 mm Hg
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| logp : | 2.81 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 650.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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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 phenyl acetate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for allyl phenyl acetate usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 217-281-2 |
| rtecs : | AJ2450000 for 1797-74-6 |
| chemidplus : | 001797746 |
| epa-srs : | 1797-74-6 |
| dtp/nci : | 6574 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| pubchem : | 159018 |
| NIST Chemistry WebBook : | 838587385 |
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