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| IUPAC name : | (2-methoxyphenyl) 2-phenylacetate |
| InChI : | InChI=1/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChIKey : | KNVYLIIBQXVDKC-UHFFFAOYAU |
| SMILES : | COC1=CC=CC=C1OC(=O)CC2=CC=CC=C2 |
| (EINECS) number : | 223-898-8 |
| cas number : | 4112-89-4 |
| fema number : | 2535 |
| coe number : | 238 |
| jecfa number : | 719 |
| fl. number : | 09.711 |
| molar refractivity : | 68.75 ± 0.3 cm3 |
| parachor : | 537.6 ± 4.0 cm3 |
| index of refraction : | 1.562 ± 0.02 |
| surface tension : | 41.5 ± 3.0 dyne/cm |
| density : | 1.144 ± 0.06 g/cm3 |
| polarizability : | 27.25 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 242.2698600 |
| formula : | C15 H14 O3 |
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| fda reg : | 172.515 |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | heavy chemical phenolic floral honey woody smoked sausage |
| taste description³ : | at 15.00 ppm. Sweet, phenolic, spicy anisic, with clover honey and vanilla nuances |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | white to yellowish brown crystalline powder |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 38.00 - 42.00 °C. @ 760.00 mm Hg
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| boiling point : | 150.00 °C. @ 0.40 mm Hg
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| boiling point : | 310.00 °C. @ 760.00 mm Hg
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| logp : | 3.12 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| 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. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for guaiacyl phenyl acetate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for guaiacyl phenyl acetate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 223-898-8 |
| chemidplus : | 004112894 |
| epa-srs : | 4112-89-4 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 197598 |
| NIST Chemistry WebBook : | 1087626573 |
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| reference : | Mosciano, Gerard P&F 19, No. 5, 79, (1994)³ |