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| IUPAC name : | 2-phenylethyl formate |
| InChI : | InChI=1/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey : | IKDIJXDZEYHZSD-UHFFFAOYAH |
| SMILES : | C1=CC=C(C=C1)CCOC=O |
| (EINECS) number : | 203-220-7 |
| cas number : | 104-62-1 |
| beilstein number : | 2044524 |
| fema number : | 2864 |
| coe number : | 350 |
| jecfa number : | 988 |
| fl. number : | 09.083 |
| molar refractivity : | 42.36 ± 0.3 cm3 |
| parachor : | 352.2 ± 4.0 cm3 |
| index of refraction : | 1.506 ± 0.02 |
| surface tension : | 37.3 ± 3.0 dyne/cm |
| density : | 1.054 ± 0.06 g/cm3 |
| polarizability : | 16.79 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 150.1745000 |
| formula : | C9 H10 O2 |
| BioActivity Analysis : | 474648 |
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| fda reg : | unspecified |
h. number : | 2915.13.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | rose green hyacinth watercress herbal |
| substantivity : | 68 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05600 - 1.06200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.787 to 8.837
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| specific gravity : | 1.05900 - 1.06700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.822 to 8.889
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| refractive index : | 1.50600 - 1.51000 @ 20.00 °C.
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| boiling point : | 226.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.96 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3220.00 mg/kg FCTXAV 12,959,1974
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg FCTXAV 12,959,1974
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| flash point ( Deg. F. ) : | 196.00 °F. TCC ( 91.11 °C. )
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| recommendation for phenethyl formate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for phenethyl formate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-220-7 |
| rtecs : | LQ9400000 for 104-62-1 |
| chemidplus : | 000104621 |
| epa-srs : | 104-62-1 |
| dtp/nci : | 404456 |
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| other : | |
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| references : | |
| jecfa number : | 988 |
| fl. number : | 09.083 |
| pubchem : | 150802 |
| NIST Chemistry WebBook : | 3030419709 |
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